CID 2782411

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradec-1-ene

Structural Information

Molecular Formula
C14H3F25
SMILES
C=CC(C(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)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H3F25/c1-2-3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)13(35,36)14(37,38)39/h2H,1H2
InChIKey
CAAQNKVBCKOIAP-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradec-1-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

115
Patents

645.9836 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 646.99088 189.7
[M+Na]+ 668.97282 193.9
[M-H]- 644.97632 199.6
[M+NH4]+ 664.01742 200.9
[M+K]+ 684.94676 207.3
[M+H-H2O]+ 628.98086 176.6
[M+HCOO]- 690.98180 208.5
[M+CH3COO]- 704.99745 257.5
[M+Na-2H]- 666.95827 191.4
[M]+ 645.98305 188.1
[M]- 645.98415 188.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe