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

33006
Patents

174.0082 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.015476 134.2
[M+Na]+ 196.997418 141.9
[M-H]- 173.000924 134.3
[M+NH4]+ 192.042023 153.4
[M+K]+ 212.971358 140.6
[M+H-H2O]+ 157.005460 127.0
[M+HCOO]- 219.006401 161.2
[M+CH3COO]- 233.022051 171.6
[M+Na-2H]- 194.982866 139.8
[M]+ 174.00765142 135.1
[M]- 174.00874858 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

literature stripe

Patent stripe

patents stripe