CID 120364

734-13-4

Structural Information

Molecular Formula
C11H15ClNO6P
SMILES
CCOP(=O)(OCCCl)OC1=C(C=C(C=C1)[N+](=O)[O-])C
InChI
InChI=1S/C11H15ClNO6P/c1-3-17-20(16,18-7-6-12)19-11-5-4-10(13(14)15)8-9(11)2/h4-5,8H,3,6-7H2,1-2H3
InChIKey
LTBPUSPYDJQECT-UHFFFAOYSA-N
Compound name
2-chloroethyl ethyl (2-methyl-4-nitrophenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.03256 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.03984 163.8
[M+Na]+ 346.02178 175.4
[M+NH4]+ 341.06638 169.4
[M+K]+ 361.99572 173.4
[M-H]- 322.02528 164.3
[M+Na-2H]- 344.00723 167.7
[M]+ 323.03201 165.5
[M]- 323.03311 165.5
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.