CID 302947

5-bromo-2,3-dichlorobenzoic acid

Structural Information

Molecular Formula
C7H3BrCl2O2
SMILES
C1=C(C=C(C(=C1C(=O)O)Cl)Cl)Br
InChI
InChI=1S/C7H3BrCl2O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12)
InChIKey
UEIAMAMGNCIAPZ-UHFFFAOYSA-N
Compound name
5-bromo-2,3-dichlorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

267.86935 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.87663 137.8
[M+Na]+ 290.85857 152.8
[M-H]- 266.86207 143.2
[M+NH4]+ 285.90317 159.2
[M+K]+ 306.83251 138.8
[M+H-H2O]+ 250.86661 140.5
[M+HCOO]- 312.86755 149.5
[M+CH3COO]- 326.88320 188.9
[M+Na-2H]- 288.84402 143.6
[M]+ 267.86880 158.9
[M]- 267.86990 158.9
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