CID 121613

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluoro-14-iodotetradecane

Structural Information

Molecular Formula
C14H4F25I
SMILES
C(CI)C(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/C14H4F25I/c15-3(16,1-2-40)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/h1-2H2
InChIKey
DBXLDZXWSFMBRB-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluoro-14-iodotetradecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

52
Patents

773.8959 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 774.90318 222.3
[M+Na]+ 796.88512 226.0
[M-H]- 772.88862 231.0
[M+NH4]+ 791.92972 232.9
[M+K]+ 812.85906 239.2
[M+H-H2O]+ 756.89316 209.5
[M+HCOO]- 818.89410 238.9
[M+CH3COO]- 832.90975 262.4
[M+Na-2H]- 794.87057 221.5
[M]+ 773.89535 219.1
[M]- 773.89645 219.1
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

patents stripe