CID 150194765

Ns00133664

Structural Information

Molecular Formula
C8H8BrClO
SMILES
CC1=C(C(=C(C=C1O)Br)Cl)C
InChI
InChI=1S/C8H8BrClO/c1-4-5(2)8(10)6(9)3-7(4)11/h3,11H,1-2H3
InChIKey
FOFALMZXOKHLGJ-UHFFFAOYSA-N
Compound name
5-bromo-4-chloro-2,3-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

233.94472 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.951996 136.5
[M+Na]+ 256.933938 151.5
[M-H]- 232.937444 142.6
[M+NH4]+ 251.978543 159.3
[M+K]+ 272.907878 138.4
[M+H-H2O]+ 216.941980 138.6
[M+HCOO]- 278.942921 153.2
[M+CH3COO]- 292.958571 186.5
[M+Na-2H]- 254.919386 142.8
[M]+ 233.94417142 157.4
[M]- 233.94526858 157.4
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