CID 91662959

2-bromo-6-(difluoromethoxy)phenol

Structural Information

Molecular Formula
C7H5BrF2O2
SMILES
C1=CC(=C(C(=C1)Br)O)OC(F)F
InChI
InChI=1S/C7H5BrF2O2/c8-4-2-1-3-5(6(4)11)12-7(9)10/h1-3,7,11H
InChIKey
LLHBDUJKZBAQMI-UHFFFAOYSA-N
Compound name
2-bromo-6-(difluoromethoxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.9441 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.95138 139.7
[M+Na]+ 260.93332 152.0
[M-H]- 236.93682 142.7
[M+NH4]+ 255.97792 160.5
[M+K]+ 276.90726 141.1
[M+H-H2O]+ 220.94136 138.6
[M+HCOO]- 282.94230 158.3
[M+CH3COO]- 296.95795 185.6
[M+Na-2H]- 258.91877 145.4
[M]+ 237.94355 156.2
[M]- 237.94465 156.2
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

No patent data available for this compound.