CID 12608383

(perfluorooctyl)phenylmethanol

Structural Information

Molecular Formula
C15H7F17O
SMILES
C1=CC=C(C=C1)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)O
InChI
InChI=1S/C15H7F17O/c16-8(17,7(33)6-4-2-1-3-5-6)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h1-5,7,33H
InChIKey
HNDBXLNXSVTFNK-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-phenylnonan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2
Patents

526.0225 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.02978 204.2
[M+Na]+ 549.01172 212.4
[M-H]- 525.01522 188.9
[M+NH4]+ 544.05632 171.9
[M+K]+ 564.98566 207.4
[M+H-H2O]+ 509.01976 187.4
[M+HCOO]- 571.02070 184.5
[M+CH3COO]- 585.03635 239.8
[M+Na-2H]- 546.99717 205.6
[M]+ 526.02195 177.3
[M]- 526.02305 177.3
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