CID 53641584

[3-(difluoromethyl)phenyl]methanol

Structural Information

Molecular Formula
C8H8F2O
SMILES
C1=CC(=CC(=C1)C(F)F)CO
InChI
InChI=1S/C8H8F2O/c9-8(10)7-3-1-2-6(4-7)5-11/h1-4,8,11H,5H2
InChIKey
OSSWCETZVZILJJ-UHFFFAOYSA-N
Compound name
[3-(difluoromethyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

158.05432 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06160 128.0
[M+Na]+ 181.04354 136.2
[M-H]- 157.04704 128.0
[M+NH4]+ 176.08814 148.4
[M+K]+ 197.01748 133.8
[M+H-H2O]+ 141.05158 121.2
[M+HCOO]- 203.05252 148.6
[M+CH3COO]- 217.06817 175.1
[M+Na-2H]- 179.02899 133.2
[M]+ 158.05377 124.6
[M]- 158.05487 124.6
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