CID 24212756

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.9866 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.99388 159.8
[M+Na]+ 304.97582 167.1
[M-H]- 280.97932 167.0
[M+NH4]+ 300.02042 177.3
[M+K]+ 320.94976 158.3
[M+H-H2O]+ 264.98386 158.5
[M+HCOO]- 326.98480 177.3
[M+CH3COO]- 341.00045 190.0
[M+Na-2H]- 302.96127 162.8
[M]+ 281.98605 161.2
[M]- 281.98715 161.2
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.