CID 3022655

93856-86-1

Structural Information

Molecular Formula
C13H9ClN2O3S
SMILES
C1=CC=C(C(=C1)[N+](=O)[O-])SC2=C(C=C(C=C2)Cl)NC=O
InChI
InChI=1S/C13H9ClN2O3S/c14-9-5-6-12(10(7-9)15-8-17)20-13-4-2-1-3-11(13)16(18)19/h1-8H,(H,15,17)
InChIKey
FGVZIFXHZPTHER-UHFFFAOYSA-N
Compound name
N-[5-chloro-2-(2-nitrophenyl)sulfanylphenyl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.00223 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.00951 162.5
[M+Na]+ 330.99145 177.6
[M+NH4]+ 326.03605 171.2
[M+K]+ 346.96539 170.2
[M-H]- 306.99495 168.8
[M+Na-2H]- 328.97690 171.2
[M]+ 308.00168 167.2
[M]- 308.00278 167.2
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.