CID 613789

2-bromo-4-chloro-6-methylphenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
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 134.3
[M+Na]+ 242.91828 139.9
[M+NH4]+ 237.96288 140.3
[M+K]+ 258.89222 138.9
[M-H]- 218.92178 135.3
[M+Na-2H]- 240.90373 138.6
[M]+ 219.92851 134.6
[M]- 219.92961 134.6
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