CID 11231019

2-bromo-4,6-dichlorobenzoic acid

Structural Information

Molecular Formula
C7H3BrCl2O2
SMILES
C1=C(C=C(C(=C1Cl)C(=O)O)Br)Cl
InChI
InChI=1S/C7H3BrCl2O2/c8-4-1-3(9)2-5(10)6(4)7(11)12/h1-2H,(H,11,12)
InChIKey
TYLORTSVHWJWAD-UHFFFAOYSA-N
Compound name
2-bromo-4,6-dichlorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

267.86935 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.876626 137.8
[M+Na]+ 290.858568 152.8
[M-H]- 266.862074 143.2
[M+NH4]+ 285.903173 159.2
[M+K]+ 306.832508 138.8
[M+H-H2O]+ 250.866610 140.5
[M+HCOO]- 312.867551 149.5
[M+CH3COO]- 326.883201 188.9
[M+Na-2H]- 288.844016 143.6
[M]+ 267.86880142 158.9
[M]- 267.86989858 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