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]+ 646.99088 190.7
[M+Na]+ 668.97282 195.4
[M-H]- 644.97632 200.3
[M+NH4]+ 664.01742 202.2
[M+K]+ 684.94676 208.4
[M+H-H2O]+ 628.98086 178.8
[M+HCOO]- 690.98180 207.6
[M+CH3COO]- 704.99745 256.9
[M+Na-2H]- 666.95827 192.2
[M]+ 645.98305 187.6
[M]- 645.98415 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.