CID 209779

Chloroxon ethyl

Structural Information

Molecular Formula
C10H13ClNO6P
SMILES
CCOP(=O)(OCC)OC1=CC(=C(C=C1)[N+](=O)[O-])Cl
InChI
InChI=1S/C10H13ClNO6P/c1-3-16-19(15,17-4-2)18-8-5-6-10(12(13)14)9(11)7-8/h5-7H,3-4H2,1-2H3
InChIKey
KYXXDAVAUNRJME-UHFFFAOYSA-N
Compound name
(3-chloro-4-nitrophenyl) diethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.0169 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.02418 161.9
[M+Na]+ 332.00612 169.7
[M-H]- 308.00962 165.1
[M+NH4]+ 327.05072 177.7
[M+K]+ 347.98006 164.2
[M+H-H2O]+ 292.01416 159.3
[M+HCOO]- 354.01510 187.4
[M+CH3COO]- 368.03075 196.1
[M+Na-2H]- 329.99157 168.1
[M]+ 309.01635 169.7
[M]- 309.01745 169.7
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.