CID 57446323

444915-77-9

Structural Information

Molecular Formula
C8H8F2O
SMILES
C1=CC(=CC=C1CO)C(F)F
InChI
InChI=1S/C8H8F2O/c9-8(10)7-3-1-6(5-11)2-4-7/h1-4,8,11H,5H2
InChIKey
YDYFWZBWPUDNAQ-UHFFFAOYSA-N
Compound name
[4-(difluoromethyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

158.05432 Da
Monoisotopic Mass

1.8
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

literature stripe

Patent stripe

patents stripe