CID 15709948

2,3,4,5-tetrabromobenzoic acid

Structural Information

Molecular Formula
C7H2Br4O2
SMILES
C1=C(C(=C(C(=C1Br)Br)Br)Br)C(=O)O
InChI
InChI=1S/C7H2Br4O2/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1H,(H,12,13)
InChIKey
KVILQONZZZERSG-UHFFFAOYSA-N
Compound name
2,3,4,5-tetrabromobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

187
Patents

433.67883 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.68611 148.0
[M+Na]+ 456.66805 154.4
[M-H]- 432.67155 151.8
[M+NH4]+ 451.71265 158.1
[M+K]+ 472.64199 141.1
[M+H-H2O]+ 416.67609 165.8
[M+HCOO]- 478.67703 153.3
[M+CH3COO]- 492.69268 234.7
[M+Na-2H]- 454.65350 150.2
[M]+ 433.67828 186.3
[M]- 433.67938 186.3
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