CID 462036

[chloro(phosphono)methyl]phosphonic acid

Structural Information

Molecular Formula
CH5ClO6P2
SMILES
C(P(=O)(O)O)(P(=O)(O)O)Cl
InChI
InChI=1S/CH5ClO6P2/c2-1(9(3,4)5)10(6,7)8/h1H,(H2,3,4,5)(H2,6,7,8)
InChIKey
FVXIZAQSPMLAMD-UHFFFAOYSA-N
Compound name
[chloro(phosphono)methyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

167
Patents

209.92499 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.93227 137.0
[M+Na]+ 232.91421 145.2
[M-H]- 208.91771 130.9
[M+NH4]+ 227.95881 154.9
[M+K]+ 248.88815 143.2
[M+H-H2O]+ 192.92225 131.1
[M+HCOO]- 254.92319 159.9
[M+CH3COO]- 268.93884 172.3
[M+Na-2H]- 230.89966 139.8
[M]+ 209.92444 139.2
[M]- 209.92554 139.2
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