CID 2769612

3-(difluoromethyl)-phenol

Structural Information

Molecular Formula
C7H6F2O
SMILES
C1=CC(=CC(=C1)O)C(F)F
InChI
InChI=1S/C7H6F2O/c8-7(9)5-2-1-3-6(10)4-5/h1-4,7,10H
InChIKey
YURSDTIXPRXFRX-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

144.03867 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.04595 123.3
[M+Na]+ 167.02789 131.9
[M-H]- 143.03139 123.4
[M+NH4]+ 162.07249 144.2
[M+K]+ 183.00183 129.7
[M+H-H2O]+ 127.03593 116.7
[M+HCOO]- 189.03687 144.1
[M+CH3COO]- 203.05252 172.1
[M+Na-2H]- 165.01334 129.0
[M]+ 144.03812 119.4
[M]- 144.03922 119.4
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