CID 762625

N-(2,4-difluorophenyl)-2-thiophenecarboxamide

Structural Information

Molecular Formula
C11H7F2NOS
SMILES
C1=CSC(=C1)C(=O)NC2=C(C=C(C=C2)F)F
InChI
InChI=1S/C11H7F2NOS/c12-7-3-4-9(8(13)6-7)14-11(15)10-2-1-5-16-10/h1-6H,(H,14,15)
InChIKey
KASHHFXSDUUGMR-UHFFFAOYSA-N
Compound name
N-(2,4-difluorophenyl)thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

239.02164 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.028916 146.4
[M+Na]+ 262.010858 155.9
[M-H]- 238.014364 151.5
[M+NH4]+ 257.055463 166.3
[M+K]+ 277.984798 151.4
[M+H-H2O]+ 222.018900 138.5
[M+HCOO]- 284.019841 165.8
[M+CH3COO]- 298.035491 190.5
[M+Na-2H]- 259.996306 147.3
[M]+ 239.02109142 145.7
[M]- 239.02218858 145.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe