CID 53217010

6-bromo-2-chloro-3-methylphenol

Structural Information

Molecular Formula
C7H6BrClO
SMILES
CC1=C(C(=C(C=C1)Br)O)Cl
InChI
InChI=1S/C7H6BrClO/c1-4-2-3-5(8)7(10)6(4)9/h2-3,10H,1H3
InChIKey
CRIAEOOHQOVEDR-UHFFFAOYSA-N
Compound name
6-bromo-2-chloro-3-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

219.92906 Da
Monoisotopic Mass

3.3
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

No literature data available for this compound.

Patent stripe

patents stripe