CID 301276

Methyl phenyl hydrogen phosphate

Structural Information

Molecular Formula
C7H9O4P
SMILES
COP(=O)(O)OC1=CC=CC=C1
InChI
InChI=1S/C7H9O4P/c1-10-12(8,9)11-7-5-3-2-4-6-7/h2-6H,1H3,(H,8,9)
InChIKey
BXVTXRIOHHFSQZ-UHFFFAOYSA-N
Compound name
methyl phenyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

548
Patents

188.02385 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.03113 137.9
[M+Na]+ 211.01307 145.6
[M-H]- 187.01657 139.3
[M+NH4]+ 206.05767 157.3
[M+K]+ 226.98701 145.1
[M+H-H2O]+ 171.02111 130.3
[M+HCOO]- 233.02205 166.2
[M+CH3COO]- 247.03770 177.2
[M+Na-2H]- 208.99852 143.6
[M]+ 188.02330 141.1
[M]- 188.02440 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