CID 511394

2-bromo-2-phosphono-propanoic acid

Structural Information

Molecular Formula
C3H6BrO5P
SMILES
CC(C(=O)O)(P(=O)(O)O)Br
InChI
InChI=1S/C3H6BrO5P/c1-3(4,2(5)6)10(7,8)9/h1H3,(H,5,6)(H2,7,8,9)
InChIKey
IZKMYNOSHVZLBO-UHFFFAOYSA-N
Compound name
2-bromo-2-phosphonopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.91362 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.92090 148.9
[M+Na]+ 254.90284 159.5
[M-H]- 230.90634 147.3
[M+NH4]+ 249.94744 168.5
[M+K]+ 270.87678 149.2
[M+H-H2O]+ 214.91088 148.1
[M+HCOO]- 276.91182 168.5
[M+CH3COO]- 290.92747 178.1
[M+Na-2H]- 252.88829 153.3
[M]+ 231.91307 166.8
[M]- 231.91417 166.8
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.