CID 271187

20933-92-0

Structural Information

Molecular Formula
C10H12ClN2O5P
SMILES
CC1(COP(=O)(OC1)NC2=CC(=CC=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C10H12ClN2O5P/c1-10(13(14)15)6-17-19(16,18-7-10)12-9-4-2-3-8(11)5-9/h2-5H,6-7H2,1H3,(H,12,16)
InChIKey
QQVBDURDWCTDJS-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-5-methyl-5-nitro-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

306.01724 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.02452 160.1
[M+Na]+ 329.00646 166.5
[M-H]- 305.00996 167.0
[M+NH4]+ 324.05106 176.0
[M+K]+ 344.98040 162.6
[M+H-H2O]+ 289.01450 157.3
[M+HCOO]- 351.01544 182.9
[M+CH3COO]- 365.03109 195.3
[M+Na-2H]- 326.99191 168.7
[M]+ 306.01669 161.4
[M]- 306.01779 161.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.