CID 24212752

3-chloro-n-(4-fluorophenyl)-2-thiophenecarboxamide

Structural Information

Molecular Formula
C11H7ClFNOS
SMILES
C1=CC(=CC=C1NC(=O)C2=C(C=CS2)Cl)F
InChI
InChI=1S/C11H7ClFNOS/c12-9-5-6-16-10(9)11(15)14-8-3-1-7(13)2-4-8/h1-6H,(H,14,15)
InChIKey
JZZSGPQPIIWYDQ-UHFFFAOYSA-N
Compound name
3-chloro-N-(4-fluorophenyl)thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.9921 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.99938 151.2
[M+Na]+ 277.98132 161.3
[M-H]- 253.98482 157.6
[M+NH4]+ 273.02592 171.4
[M+K]+ 293.95526 155.6
[M+H-H2O]+ 237.98936 145.0
[M+HCOO]- 299.99030 167.1
[M+CH3COO]- 314.00595 191.5
[M+Na-2H]- 275.96677 152.2
[M]+ 254.99155 153.6
[M]- 254.99265 153.6
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

No patent data available for this compound.