CID 6507251

Glyoxylonitrile, phenyl-, oxime, dimethyl phosphate

Structural Information

Molecular Formula
C10H11N2O4P
SMILES
COP(=O)(OC)O/N=C(/C#N)\C1=CC=CC=C1
InChI
InChI=1S/C10H11N2O4P/c1-14-17(13,15-2)16-12-10(8-11)9-6-4-3-5-7-9/h3-7H,1-2H3/b12-10-
InChIKey
DUBBJXABOLOOMI-BENRWUELSA-N
Compound name
[(E)-[cyano(phenyl)methylidene]amino] dimethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.04564 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.05292 151.0
[M+Na]+ 277.03486 159.3
[M-H]- 253.03836 154.1
[M+NH4]+ 272.07946 166.7
[M+K]+ 293.00880 158.8
[M+H-H2O]+ 237.04290 135.8
[M+HCOO]- 299.04384 177.2
[M+CH3COO]- 313.05949 207.6
[M+Na-2H]- 275.02031 155.3
[M]+ 254.04509 151.1
[M]- 254.04619 151.1
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

No patent data available for this compound.