CID 2774121

2-(difluoromethoxy)phenol

Structural Information

Molecular Formula
C7H6F2O2
SMILES
C1=CC=C(C(=C1)O)OC(F)F
InChI
InChI=1S/C7H6F2O2/c8-7(9)11-6-4-2-1-3-5(6)10/h1-4,7,10H
InChIKey
PVNTURWWDZNXTK-UHFFFAOYSA-N
Compound name
2-(difluoromethoxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

183
Patents

160.03358 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.040856 126.5
[M+Na]+ 183.022798 135.1
[M-H]- 159.026304 126.6
[M+NH4]+ 178.067403 146.7
[M+K]+ 198.996738 133.4
[M+H-H2O]+ 143.030840 119.6
[M+HCOO]- 205.031781 147.6
[M+CH3COO]- 219.047431 174.1
[M+Na-2H]- 181.008246 132.2
[M]+ 160.03303142 124.1
[M]- 160.03412858 124.1
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