CID 99269

Phenyl-p-phenylphosphonochloridate

Structural Information

Molecular Formula
C12H10ClO2P
SMILES
C1=CC=C(C=C1)OP(=O)(C2=CC=CC=C2)Cl
InChI
InChI=1S/C12H10ClO2P/c13-16(14,12-9-5-2-6-10-12)15-11-7-3-1-4-8-11/h1-10H
InChIKey
QEJXQVSIYPMBQC-UHFFFAOYSA-N
Compound name
[chloro(phenyl)phosphoryl]oxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

237
Patents

252.0107 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.01798 152.7
[M+Na]+ 274.99992 161.2
[M-H]- 251.00342 158.3
[M+NH4]+ 270.04452 170.8
[M+K]+ 290.97386 156.6
[M+H-H2O]+ 235.00796 144.2
[M+HCOO]- 297.00890 177.3
[M+CH3COO]- 311.02455 190.4
[M+Na-2H]- 272.98537 158.0
[M]+ 252.01015 156.1
[M]- 252.01125 156.1
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