CID 6415

Tribromoacetic acid

Structural Information

Molecular Formula
C2HBr3O2
SMILES
C(=O)(C(Br)(Br)Br)O
InChI
InChI=1S/C2HBr3O2/c3-2(4,5)1(6)7/h(H,6,7)
InChIKey
QIONYIKHPASLHO-UHFFFAOYSA-N
Compound name
2,2,2-tribromoacetic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

38
References

1660
Patents

293.75266 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.759936 133.4
[M+Na]+ 316.741878 141.8
[M-H]- 292.745384 136.6
[M+NH4]+ 311.786483 149.1
[M+K]+ 332.715818 126.1
[M+H-H2O]+ 276.749920 148.2
[M+HCOO]- 338.750861 142.2
[M+CH3COO]- 352.766511 211.0
[M+Na-2H]- 314.727326 139.5
[M]+ 293.75211142 172.8
[M]- 293.75320858 172.8
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