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

74
Patents

144.03867 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.045946 123.3
[M+Na]+ 167.027888 131.9
[M-H]- 143.031394 123.4
[M+NH4]+ 162.072493 144.2
[M+K]+ 183.001828 129.7
[M+H-H2O]+ 127.035930 116.7
[M+HCOO]- 189.036871 144.1
[M+CH3COO]- 203.052521 172.1
[M+Na-2H]- 165.013336 129.0
[M]+ 144.03812142 119.4
[M]- 144.03921858 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