CID 4641201

[chloro(phenylmethoxy)phosphoryl]oxymethylbenzene

Structural Information

Molecular Formula
C14H14ClO3P
SMILES
C1=CC=C(C=C1)COP(=O)(OCC2=CC=CC=C2)Cl
InChI
InChI=1S/C14H14ClO3P/c15-19(16,17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey
YADJFRGSGWGMNH-UHFFFAOYSA-N
Compound name
[chloro(phenylmethoxy)phosphoryl]oxymethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1073
Patents

296.0369 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.04418 165.1
[M+Na]+ 319.02612 172.5
[M-H]- 295.02962 170.3
[M+NH4]+ 314.07072 181.3
[M+K]+ 335.00006 168.1
[M+H-H2O]+ 279.03416 155.8
[M+HCOO]- 341.03510 189.1
[M+CH3COO]- 355.05075 198.4
[M+Na-2H]- 317.01157 169.4
[M]+ 296.03635 170.6
[M]- 296.03745 170.6
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

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