CID 14227575

2,3,3-tribromopropenoic acid

Structural Information

Molecular Formula
C3HBr3O2
SMILES
C(=C(Br)Br)(C(=O)O)Br
InChI
InChI=1S/C3HBr3O2/c4-1(2(5)6)3(7)8/h(H,7,8)
InChIKey
UKFXMSBXHCEXIK-UHFFFAOYSA-N
Compound name
2,3,3-tribromoprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

305.75266 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.75994 133.7
[M+Na]+ 328.74188 141.4
[M-H]- 304.74538 136.7
[M+NH4]+ 323.78648 149.0
[M+K]+ 344.71582 125.6
[M+H-H2O]+ 288.74992 148.1
[M+HCOO]- 350.75086 142.2
[M+CH3COO]- 364.76651 212.9
[M+Na-2H]- 326.72733 137.9
[M]+ 305.75211 172.5
[M]- 305.75321 172.5
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