CID 120363

734-12-3

Structural Information

Molecular Formula
C11H15ClNO6P
SMILES
CCCOP(=O)(OCCCl)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C11H15ClNO6P/c1-2-8-17-20(16,18-9-7-12)19-11-5-3-10(4-6-11)13(14)15/h3-6H,2,7-9H2,1H3
InChIKey
UPMNHVDSCGKHNL-UHFFFAOYSA-N
Compound name
2-chloroethyl (4-nitrophenyl) propyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.03256 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.03984 167.7
[M+Na]+ 346.02178 174.1
[M-H]- 322.02528 170.3
[M+NH4]+ 341.06638 182.5
[M+K]+ 361.99572 168.2
[M+H-H2O]+ 306.02982 164.6
[M+HCOO]- 368.03076 192.8
[M+CH3COO]- 382.04641 198.0
[M+Na-2H]- 344.00723 173.8
[M]+ 323.03201 175.4
[M]- 323.03311 175.4
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.