CID 91837

Diphosphoric acid, monomethyl ester

Structural Information

Molecular Formula
CH6O7P2
SMILES
COP(=O)(O)OP(=O)(O)O
InChI
InChI=1S/CH6O7P2/c1-7-10(5,6)8-9(2,3)4/h1H3,(H,5,6)(H2,2,3,4)
InChIKey
PRFDQHCVOVMMJC-UHFFFAOYSA-N
Compound name
methyl phosphono hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

1018
Patents

191.95888 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.966156 136.9
[M+Na]+ 214.948098 144.5
[M-H]- 190.951604 131.4
[M+NH4]+ 209.992703 155.0
[M+K]+ 230.922038 145.5
[M+H-H2O]+ 174.956140 129.0
[M+HCOO]- 236.957081 166.5
[M+CH3COO]- 250.972731 172.3
[M+Na-2H]- 212.933546 141.5
[M]+ 191.95833142 141.1
[M]- 191.95942858 141.1
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