CID 43545

Cyanophos-oxon

Structural Information

Molecular Formula
C9H10NO4P
SMILES
COP(=O)(OC)OC1=CC=C(C=C1)C#N
InChI
InChI=1S/C9H10NO4P/c1-12-15(11,13-2)14-9-5-3-8(7-10)4-6-9/h3-6H,1-2H3
InChIKey
UYPOZCXBRKUQSO-UHFFFAOYSA-N
Compound name
(4-cyanophenyl) dimethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

227.03474 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.04202 142.7
[M+Na]+ 250.02396 152.7
[M-H]- 226.02746 145.3
[M+NH4]+ 245.06856 159.6
[M+K]+ 265.99790 151.8
[M+H-H2O]+ 210.03200 128.6
[M+HCOO]- 272.03294 167.9
[M+CH3COO]- 286.04859 199.9
[M+Na-2H]- 248.00941 147.5
[M]+ 227.03419 143.3
[M]- 227.03529 143.3
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