CID 39220705

2-bromo-5-chloro-4-methylphenol

Structural Information

Molecular Formula
C7H6BrClO
SMILES
CC1=CC(=C(C=C1Cl)O)Br
InChI
InChI=1S/C7H6BrClO/c1-4-2-5(8)7(10)3-6(4)9/h2-3,10H,1H3
InChIKey
ICFQCCQWNIPZTA-UHFFFAOYSA-N
Compound name
2-bromo-5-chloro-4-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]+ 220.93634 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

No literature data available for this compound.

Patent stripe

patents stripe