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

12
Patents

219.92906 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.936336 132.6
[M+Na]+ 242.918278 147.2
[M-H]- 218.921784 138.6
[M+NH4]+ 237.962883 155.7
[M+K]+ 258.892218 134.3
[M+H-H2O]+ 202.926320 134.8
[M+HCOO]- 264.927261 149.7
[M+CH3COO]- 278.942911 182.5
[M+Na-2H]- 240.903726 140.1
[M]+ 219.92851142 152.8
[M]- 219.92960858 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