CID 155822506

[4-chloro-2-(difluoromethyl)phenyl]methanol

Structural Information

Molecular Formula
C8H7ClF2O
SMILES
C1=CC(=C(C=C1Cl)C(F)F)CO
InChI
InChI=1S/C8H7ClF2O/c9-6-2-1-5(4-12)7(3-6)8(10)11/h1-3,8,12H,4H2
InChIKey
NIUVBZPFWVCBGE-UHFFFAOYSA-N
Compound name
[4-chloro-2-(difluoromethyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.01535 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.022626 132.1
[M+Na]+ 215.004568 142.0
[M-H]- 191.008074 132.2
[M+NH4]+ 210.049173 152.2
[M+K]+ 230.978508 137.5
[M+H-H2O]+ 175.012610 126.4
[M+HCOO]- 237.013551 148.1
[M+CH3COO]- 251.029201 180.1
[M+Na-2H]- 212.990016 136.2
[M]+ 192.01480142 131.1
[M]- 192.01589858 131.1
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

No patent data available for this compound.