CID 11896

2,4-dibromobenzoic acid

Structural Information

Molecular Formula
C7H4Br2O2
SMILES
C1=CC(=C(C=C1Br)Br)C(=O)O
InChI
InChI=1S/C7H4Br2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
InChIKey
NAGGYODWMPFKJQ-UHFFFAOYSA-N
Compound name
2,4-dibromobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

433
Patents

277.8578 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.86508 134.6
[M+Na]+ 300.84702 145.8
[M-H]- 276.85052 140.7
[M+NH4]+ 295.89162 153.9
[M+K]+ 316.82096 130.6
[M+H-H2O]+ 260.85506 143.0
[M+HCOO]- 322.85600 150.1
[M+CH3COO]- 336.87165 198.1
[M+Na-2H]- 298.83247 141.5
[M]+ 277.85725 168.1
[M]- 277.85835 168.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe