CID 277711

Diphenyl alpha-chlorobenzylphosphonate

Structural Information

Molecular Formula
C19H16ClO3P
SMILES
C1=CC=C(C=C1)C(P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)Cl
InChI
InChI=1S/C19H16ClO3P/c20-19(16-10-4-1-5-11-16)24(21,22-17-12-6-2-7-13-17)23-18-14-8-3-9-15-18/h1-15,19H
InChIKey
LTRZPFCYQMGZGD-UHFFFAOYSA-N
Compound name
[chloro(diphenoxyphosphoryl)methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

358.05255 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.05983 181.7
[M+Na]+ 381.04177 187.7
[M-H]- 357.04527 189.6
[M+NH4]+ 376.08637 194.5
[M+K]+ 397.01571 182.5
[M+H-H2O]+ 341.04981 170.6
[M+HCOO]- 403.05075 204.1
[M+CH3COO]- 417.06640 210.1
[M+Na-2H]- 379.02722 184.4
[M]+ 358.05200 185.4
[M]- 358.05310 185.4
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

patents stripe