CID 24212755

3-chloro-n-(3-nitrophenyl)-2-thiophenecarboxamide

Structural Information

Molecular Formula
C11H7ClN2O3S
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C2=C(C=CS2)Cl
InChI
InChI=1S/C11H7ClN2O3S/c12-9-4-5-18-10(9)11(15)13-7-2-1-3-8(6-7)14(16)17/h1-6H,(H,13,15)
InChIKey
PZNHSSYLFCAHRU-UHFFFAOYSA-N
Compound name
3-chloro-N-(3-nitrophenyl)thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.9866 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.99388 156.2
[M+Na]+ 304.97582 168.9
[M+NH4]+ 300.02042 164.7
[M+K]+ 320.94976 164.8
[M-H]- 280.97932 161.3
[M+Na-2H]- 302.96127 163.3
[M]+ 281.98605 160.0
[M]- 281.98715 160.0
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.