CID 458207

3,4,5-tribromobenzoic acid

Structural Information

Molecular Formula
C7H3Br3O2
SMILES
C1=C(C=C(C(=C1Br)Br)Br)C(=O)O
InChI
InChI=1S/C7H3Br3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12)
InChIKey
UDZOUVAHFWHQEL-UHFFFAOYSA-N
Compound name
3,4,5-tribromobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

355.7683 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.77558 137.9
[M+Na]+ 378.75752 146.2
[M-H]- 354.76102 142.9
[M+NH4]+ 373.80212 152.5
[M+K]+ 394.73146 130.8
[M+H-H2O]+ 338.76556 152.7
[M+HCOO]- 400.76650 147.6
[M+CH3COO]- 414.78215 218.5
[M+Na-2H]- 376.74297 142.7
[M]+ 355.76775 178.4
[M]- 355.76885 178.4
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