CID 318915

3-bromo-2-(bromomethyl)propionic acid

Structural Information

Molecular Formula
C4H6Br2O2
SMILES
C(C(CBr)C(=O)O)Br
InChI
InChI=1S/C4H6Br2O2/c5-1-3(2-6)4(7)8/h3H,1-2H2,(H,7,8)
InChIKey
QQZJWQCLWOQDQV-UHFFFAOYSA-N
Compound name
3-bromo-2-(bromomethyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

289
Patents

243.87344 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.88072 138.2
[M+Na]+ 266.86266 131.7
[M+NH4]+ 261.90726 139.5
[M+K]+ 282.83660 139.3
[M-H]- 242.86616 136.8
[M+Na-2H]- 264.84811 137.9
[M]+ 243.87289 135.5
[M]- 243.87399 135.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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