CID 71404768

1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptan-1-ol

Structural Information

Molecular Formula
C7H2F14O
SMILES
C(C(C(C(C(C(C(O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H2F14O/c8-1(9)2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)22/h1,22H
InChIKey
LTXPBIMCWINHOI-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

367.98822 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.99550 164.7
[M+Na]+ 390.97744 173.7
[M-H]- 366.98094 148.7
[M+NH4]+ 386.02204 150.3
[M+K]+ 406.95138 170.6
[M+H-H2O]+ 350.98548 151.1
[M+HCOO]- 412.98642 162.2
[M+CH3COO]- 427.00207 214.6
[M+Na-2H]- 388.96289 166.7
[M]+ 367.98767 141.9
[M]- 367.98877 141.9
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