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

572
Patents

229.8578 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.86508 129.1
[M+Na]+ 252.84702 140.1
[M-H]- 228.85052 132.5
[M+NH4]+ 247.89162 149.6
[M+K]+ 268.82096 125.0
[M+H-H2O]+ 212.85506 137.7
[M+HCOO]- 274.85600 143.0
[M+CH3COO]- 288.87165 191.1
[M+Na-2H]- 250.83247 136.8
[M]+ 229.85725 161.8
[M]- 229.85835 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.