CID 17766392

Phenyl propyl hydrogen phosphate

Structural Information

Molecular Formula
C9H13O4P
SMILES
CCCOP(=O)(O)OC1=CC=CC=C1
InChI
InChI=1S/C9H13O4P/c1-2-8-12-14(10,11)13-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,10,11)
InChIKey
ODCVCARXUNEYRT-UHFFFAOYSA-N
Compound name
phenyl propyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

216.05515 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.06243 147.5
[M+Na]+ 239.04437 154.4
[M-H]- 215.04787 148.6
[M+NH4]+ 234.08897 165.8
[M+K]+ 255.01831 153.4
[M+H-H2O]+ 199.05241 139.5
[M+HCOO]- 261.05335 175.2
[M+CH3COO]- 275.06900 183.3
[M+Na-2H]- 237.02982 152.2
[M]+ 216.05460 151.5
[M]- 216.05570 151.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe