CID 22023450

Propylenediphosphonic acid

Structural Information

Molecular Formula
C3H10O6P2
SMILES
CC(CP(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C3H10O6P2/c1-3(11(7,8)9)2-10(4,5)6/h3H,2H2,1H3,(H2,4,5,6)(H2,7,8,9)
InChIKey
DZQCAOQMXPROIJ-UHFFFAOYSA-N
Compound name
1-phosphonopropan-2-ylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

295
Patents

203.99525 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.00253 146.4
[M+Na]+ 226.98447 152.7
[M-H]- 202.98797 139.3
[M+NH4]+ 222.02907 163.4
[M+K]+ 242.95841 152.3
[M+H-H2O]+ 186.99251 138.7
[M+HCOO]- 248.99345 172.6
[M+CH3COO]- 263.00910 174.5
[M+Na-2H]- 224.96992 147.7
[M]+ 203.99470 147.3
[M]- 203.99580 147.3
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