CID 84688072

2-bromo-5-(difluoromethyl)phenol

Structural Information

Molecular Formula
C7H5BrF2O
SMILES
C1=CC(=C(C=C1C(F)F)O)Br
InChI
InChI=1S/C7H5BrF2O/c8-5-2-1-4(7(9)10)3-6(5)11/h1-3,7,11H
InChIKey
VBJXQYBZTQBMHL-UHFFFAOYSA-N
Compound name
2-bromo-5-(difluoromethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

221.94917 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.956446 136.9
[M+Na]+ 244.938388 149.4
[M-H]- 220.941894 140.0
[M+NH4]+ 239.982993 158.4
[M+K]+ 260.912328 138.0
[M+H-H2O]+ 204.946430 136.1
[M+HCOO]- 266.947371 155.3
[M+CH3COO]- 280.963021 183.8
[M+Na-2H]- 242.923836 142.6
[M]+ 221.94862142 152.1
[M]- 221.94971858 152.1
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