CID 12793

Phenyl dihydrogen phosphate

Structural Information

Molecular Formula
C6H7O4P
SMILES
C1=CC=C(C=C1)OP(=O)(O)O
InChI
InChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
InChIKey
CMPQUABWPXYYSH-UHFFFAOYSA-N
Compound name
phenyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

133
References

32874
Patents

174.0082 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.01548 134.2
[M+Na]+ 196.99742 141.9
[M-H]- 173.00092 134.3
[M+NH4]+ 192.04202 153.4
[M+K]+ 212.97136 140.6
[M+H-H2O]+ 157.00546 127.0
[M+HCOO]- 219.00640 161.2
[M+CH3COO]- 233.02205 171.6
[M+Na-2H]- 194.98287 139.8
[M]+ 174.00765 135.1
[M]- 174.00875 135.1
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

No patent data available for this compound.