CID 452092

Phosphonoglyoxalic acid

Structural Information

Molecular Formula
C2H3O6P
SMILES
C(=O)(C(=O)P(=O)(O)O)O
InChI
InChI=1S/C2H3O6P/c3-1(4)2(5)9(6,7)8/h(H,3,4)(H2,6,7,8)
InChIKey
HISRLFWNBVQMKW-UHFFFAOYSA-N
Compound name
2-oxo-2-phosphonoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

36
Patents

153.96672 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.97400 125.5
[M+Na]+ 176.95594 133.1
[M-H]- 152.95944 121.2
[M+NH4]+ 172.00054 144.6
[M+K]+ 192.92988 133.4
[M+H-H2O]+ 136.96398 119.9
[M+HCOO]- 198.96492 149.6
[M+CH3COO]- 212.98057 165.8
[M+Na-2H]- 174.94139 128.3
[M]+ 153.96617 125.9
[M]- 153.96727 125.9
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