CID 75480873

[4-(pentafluoroethyl)phenyl]methanol

Structural Information

Molecular Formula
C9H7F5O
SMILES
C1=CC(=CC=C1CO)C(C(F)(F)F)(F)F
InChI
InChI=1S/C9H7F5O/c10-8(11,9(12,13)14)7-3-1-6(5-15)2-4-7/h1-4,15H,5H2
InChIKey
ZXZLUFRIKQUNAX-UHFFFAOYSA-N
Compound name
[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

226.0417 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.04898 141.2
[M+Na]+ 249.03092 150.3
[M-H]- 225.03442 137.4
[M+NH4]+ 244.07552 158.8
[M+K]+ 265.00486 146.7
[M+H-H2O]+ 209.03896 132.3
[M+HCOO]- 271.03990 155.9
[M+CH3COO]- 285.05555 186.1
[M+Na-2H]- 247.01637 146.6
[M]+ 226.04115 133.7
[M]- 226.04225 133.7
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