CID 14151161

(4-phenylphenoxy)phosphonic acid

Structural Information

Molecular Formula
C12H11O4P
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)OP(=O)(O)O
InChI
InChI=1S/C12H11O4P/c13-17(14,15)16-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)
InChIKey
HCMDALUSRXPQDD-UHFFFAOYSA-N
Compound name
(4-phenylphenyl) dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

81
Patents

250.03949 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.04677 154.4
[M+Na]+ 273.02871 161.6
[M-H]- 249.03221 157.6
[M+NH4]+ 268.07331 170.3
[M+K]+ 289.00265 158.6
[M+H-H2O]+ 233.03675 145.5
[M+HCOO]- 295.03769 180.8
[M+CH3COO]- 309.05334 186.9
[M+Na-2H]- 271.01416 158.7
[M]+ 250.03894 155.0
[M]- 250.04004 155.0
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