CID 195870

Carboxyphosphate

Structural Information

Molecular Formula
CH3O6P
SMILES
C(=O)(O)OP(=O)(O)O
InChI
InChI=1S/CH3O6P/c2-1(3)7-8(4,5)6/h(H,2,3)(H2,4,5,6)
InChIKey
LQQCGEGRINLHDP-UHFFFAOYSA-N
Compound name
phosphono hydrogen carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

875
Patents

141.96672 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.973996 123.0
[M+Na]+ 164.955938 131.0
[M-H]- 140.959444 118.7
[M+NH4]+ 160.000543 142.8
[M+K]+ 180.929878 131.6
[M+H-H2O]+ 124.963980 117.3
[M+HCOO]- 186.964921 148.2
[M+CH3COO]- 200.980571 162.2
[M+Na-2H]- 162.941386 127.4
[M]+ 141.96617142 124.3
[M]- 141.96726858 124.3
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