CID 4348610

101414-55-5

Structural Information

Molecular Formula
C14H12N2O3S
SMILES
COC(=NSC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CC=C2
InChI
InChI=1S/C14H12N2O3S/c1-19-14(11-5-3-2-4-6-11)15-20-13-9-7-12(8-10-13)16(17)18/h2-10H,1H3
InChIKey
FMYWSIKFECHZDS-UHFFFAOYSA-N
Compound name
methyl N-(4-nitrophenyl)sulfanylbenzenecarboximidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.05685 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.06413 159.8
[M+Na]+ 311.04607 173.4
[M+NH4]+ 306.09067 168.3
[M+K]+ 327.02001 166.8
[M-H]- 287.04957 166.2
[M+Na-2H]- 309.03152 169.0
[M]+ 288.05630 163.9
[M]- 288.05740 163.9
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.