CID 17760439

2,2-dibromopropanoic acid

Structural Information

Molecular Formula
C3H4Br2O2
SMILES
CC(C(=O)O)(Br)Br
InChI
InChI=1S/C3H4Br2O2/c1-3(4,5)2(6)7/h1H3,(H,6,7)
InChIKey
QVHNPERSEFABEH-UHFFFAOYSA-N
Compound name
2,2-dibromopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

573
Patents

229.8578 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.865076 129.1
[M+Na]+ 252.847018 140.1
[M-H]- 228.850524 132.5
[M+NH4]+ 247.891623 149.6
[M+K]+ 268.820958 125.0
[M+H-H2O]+ 212.855060 137.7
[M+HCOO]- 274.856001 143.0
[M+CH3COO]- 288.871651 191.1
[M+Na-2H]- 250.832466 136.8
[M]+ 229.85725142 161.8
[M]- 229.85834858 161.8
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