CID 138396337

1,1,1,2,2,3,3,4,4,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradec-6-ene

Structural Information

Molecular Formula
C14H3F25
SMILES
C(C=C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H3F25/c15-3(1-2-4(16,17)6(20,21)11(30,31)13(34,35)36)5(18,19)7(22,23)8(24,25)9(26,27)10(28,29)12(32,33)14(37,38)39/h1H,2H2
InChIKey
RPCHUJWKTVLPOH-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradec-6-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

645.9836 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 646.990876 190.7
[M+Na]+ 668.972818 195.4
[M-H]- 644.976324 200.3
[M+NH4]+ 664.017423 202.2
[M+K]+ 684.946758 208.4
[M+H-H2O]+ 628.980860 178.8
[M+HCOO]- 690.981801 207.6
[M+CH3COO]- 704.997451 256.9
[M+Na-2H]- 666.958266 192.2
[M]+ 645.98305142 187.6
[M]- 645.98414858 187.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.