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

1582
Patents

293.75266 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.75994 133.4
[M+Na]+ 316.74188 141.8
[M-H]- 292.74538 136.6
[M+NH4]+ 311.78648 149.1
[M+K]+ 332.71582 126.1
[M+H-H2O]+ 276.74992 148.2
[M+HCOO]- 338.75086 142.2
[M+CH3COO]- 352.76651 211.0
[M+Na-2H]- 314.72733 139.5
[M]+ 293.75211 172.8
[M]- 293.75321 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.