CID 120364

2-chloroethyl ethyl 2-methyl-4-nitrophenyl phosphate

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]+ 324.039836 167.0
[M+Na]+ 346.021778 174.3
[M-H]- 322.025284 170.0
[M+NH4]+ 341.066383 182.1
[M+K]+ 361.995718 168.5
[M+H-H2O]+ 306.029820 164.2
[M+HCOO]- 368.030761 192.1
[M+CH3COO]- 382.046411 199.2
[M+Na-2H]- 344.007226 172.5
[M]+ 323.03201142 175.1
[M]- 323.03310858 175.1
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.