CID 70833

P-nitrophenyl dimethylsulphamate

Structural Information

Molecular Formula
C8H10N2O5S
SMILES
CN(C)S(=O)(=O)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C8H10N2O5S/c1-9(2)16(13,14)15-8-5-3-7(4-6-8)10(11)12/h3-6H,1-2H3
InChIKey
ABMFUZRWANUQNU-UHFFFAOYSA-N
Compound name
(4-nitrophenyl) N,N-dimethylsulfamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

246.03104 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.038316 147.0
[M+Na]+ 269.020258 153.7
[M-H]- 245.023764 152.4
[M+NH4]+ 264.064863 163.9
[M+K]+ 284.994198 149.0
[M+H-H2O]+ 229.028300 144.9
[M+HCOO]- 291.029241 168.4
[M+CH3COO]- 305.044891 187.3
[M+Na-2H]- 267.005706 154.4
[M]+ 246.03049142 149.8
[M]- 246.03158858 149.8
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

patents stripe