CID 82031

4-bromo-2-chloro-6-methylphenol

Structural Information

Molecular Formula
C7H6BrClO
SMILES
CC1=CC(=CC(=C1O)Cl)Br
InChI
InChI=1S/C7H6BrClO/c1-4-2-5(8)3-6(9)7(4)10/h2-3,10H,1H3
InChIKey
IDDUDPYBPXKGCP-UHFFFAOYSA-N
Compound name
4-bromo-2-chloro-6-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

296
Patents

219.92906 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.93634 132.6
[M+Na]+ 242.91828 147.2
[M-H]- 218.92178 138.6
[M+NH4]+ 237.96288 155.7
[M+K]+ 258.89222 134.3
[M+H-H2O]+ 202.92632 134.8
[M+HCOO]- 264.92726 149.7
[M+CH3COO]- 278.94291 182.5
[M+Na-2H]- 240.90373 140.1
[M]+ 219.92851 152.8
[M]- 219.92961 152.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe