CID 67543

(perfluoroheptyl)methanol

Structural Information

Molecular Formula
C8H3F15O
SMILES
C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C8H3F15O/c9-2(10,1-24)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h24H,1H2
InChIKey
PJDOLCGOTSNFJM-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2442
Patents

399.99445 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.00173 174.5
[M+Na]+ 422.98367 183.7
[M-H]- 398.98717 158.0
[M+NH4]+ 418.02827 154.3
[M+K]+ 438.95761 180.2
[M+H-H2O]+ 382.99171 160.5
[M+HCOO]- 444.99265 169.1
[M+CH3COO]- 459.00830 219.6
[M+Na-2H]- 420.96912 177.6
[M]+ 399.99390 150.4
[M]- 399.99500 150.4
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