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
1
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 172.8
[M+Na]+ 390.97744 172.8
[M+NH4]+ 386.02204 172.1
[M+K]+ 406.95138 172.1
[M-H]- 366.98094 169.2
[M+Na-2H]- 388.96289 171.6
[M]+ 367.98767 171.7
[M]- 367.98877 171.7
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