CID 84655439

[4-(difluoromethyl)-3-fluorophenyl]methanol

Structural Information

Molecular Formula
C8H7F3O
SMILES
C1=CC(=C(C=C1CO)F)C(F)F
InChI
InChI=1S/C8H7F3O/c9-7-3-5(4-12)1-2-6(7)8(10)11/h1-3,8,12H,4H2
InChIKey
JVSRKDFYSYMJKY-UHFFFAOYSA-N
Compound name
[4-(difluoromethyl)-3-fluorophenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

176.0449 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.05218 130.2
[M+Na]+ 199.03412 139.3
[M-H]- 175.03762 129.1
[M+NH4]+ 194.07872 150.0
[M+K]+ 215.00806 136.5
[M+H-H2O]+ 159.04216 122.6
[M+HCOO]- 221.04310 149.6
[M+CH3COO]- 235.05875 179.1
[M+Na-2H]- 197.01957 134.0
[M]+ 176.04435 125.8
[M]- 176.04545 125.8
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