CID 89027

2-bromo-5-chlorobenzoic acid

Structural Information

Molecular Formula
C7H4BrClO2
SMILES
C1=CC(=C(C=C1Cl)C(=O)O)Br
InChI
InChI=1S/C7H4BrClO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,(H,10,11)
InChIKey
RBCPJQQJBAQSOU-UHFFFAOYSA-N
Compound name
2-bromo-5-chlorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

586
Patents

233.90833 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.91561 135.7
[M+Na]+ 256.89755 140.3
[M+NH4]+ 251.94215 140.9
[M+K]+ 272.87149 140.4
[M-H]- 232.90105 135.9
[M+Na-2H]- 254.88300 139.5
[M]+ 233.90778 135.5
[M]- 233.90888 135.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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