CID 3020165

2,3-dibromo-2-methylpropanoic acid

Structural Information

Molecular Formula
C4H6Br2O2
SMILES
CC(CBr)(C(=O)O)Br
InChI
InChI=1S/C4H6Br2O2/c1-4(6,2-5)3(7)8/h2H2,1H3,(H,7,8)
InChIKey
UYCLMYDTNVHCAN-UHFFFAOYSA-N
Compound name
2,3-dibromo-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

243.87344 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.880716 133.2
[M+Na]+ 266.862658 143.9
[M-H]- 242.866164 136.5
[M+NH4]+ 261.907263 153.4
[M+K]+ 282.836598 128.6
[M+H-H2O]+ 226.870700 141.7
[M+HCOO]- 288.871641 146.9
[M+CH3COO]- 302.887291 193.4
[M+Na-2H]- 264.848106 140.5
[M]+ 243.87289142 166.3
[M]- 243.87398858 166.3
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