CID 12463933

Imino(methyl)(4-nitrophenyl)-lambda6-sulfanone

Structural Information

Molecular Formula
C7H8N2O3S
SMILES
CS(=N)(=O)C1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C7H8N2O3S/c1-13(8,12)7-4-2-6(3-5-7)9(10)11/h2-5,8H,1H3
InChIKey
OSHPSKAPWFEQST-UHFFFAOYSA-N
Compound name
imino-methyl-(4-nitrophenyl)-oxo-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

200.02556 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.03284 136.0
[M+Na]+ 223.01478 143.6
[M-H]- 199.01828 140.3
[M+NH4]+ 218.05938 154.4
[M+K]+ 238.98872 136.6
[M+H-H2O]+ 183.02282 134.8
[M+HCOO]- 245.02376 156.9
[M+CH3COO]- 259.03941 176.5
[M+Na-2H]- 221.00023 143.9
[M]+ 200.02501 134.6
[M]- 200.02611 134.6
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