CID 46311722

3-(difluoromethyl)-5-fluorophenol

Structural Information

Molecular Formula
C7H5F3O
SMILES
C1=C(C=C(C=C1O)F)C(F)F
InChI
InChI=1S/C7H5F3O/c8-5-1-4(7(9)10)2-6(11)3-5/h1-3,7,11H
InChIKey
YTWLWSDZTXVTLG-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)-5-fluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

162.02925 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.036526 125.4
[M+Na]+ 185.018468 134.9
[M-H]- 161.021974 124.5
[M+NH4]+ 180.063073 145.7
[M+K]+ 200.992408 132.4
[M+H-H2O]+ 145.026510 118.0
[M+HCOO]- 207.027451 145.1
[M+CH3COO]- 221.043101 176.1
[M+Na-2H]- 183.003916 129.8
[M]+ 162.02870142 120.7
[M]- 162.02979858 120.7
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