CID 24212757

3-chloro-n-isopropyl-2-thiophenecarboxamide

Structural Information

Molecular Formula
C8H10ClNOS
SMILES
CC(C)NC(=O)C1=C(C=CS1)Cl
InChI
InChI=1S/C8H10ClNOS/c1-5(2)10-8(11)7-6(9)3-4-12-7/h3-5H,1-2H3,(H,10,11)
InChIKey
PYSIRQYZTFITCT-UHFFFAOYSA-N
Compound name
3-chloro-N-propan-2-ylthiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.01717 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.024446 143.1
[M+Na]+ 226.006388 151.6
[M-H]- 202.009894 147.4
[M+NH4]+ 221.050993 165.3
[M+K]+ 241.980328 148.0
[M+H-H2O]+ 186.014430 138.6
[M+HCOO]- 248.015371 158.0
[M+CH3COO]- 262.031021 184.1
[M+Na-2H]- 223.991836 142.9
[M]+ 203.01662142 146.4
[M]- 203.01771858 146.4
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.