CID 16227001

878125-78-1

Structural Information

Molecular Formula
C8H10ClNOS
SMILES
CC(C(=O)NCC1=CC=CS1)Cl
InChI
InChI=1S/C8H10ClNOS/c1-6(9)8(11)10-5-7-3-2-4-12-7/h2-4,6H,5H2,1H3,(H,10,11)
InChIKey
FTWRCCDSFPYNQB-UHFFFAOYSA-N
Compound name
2-chloro-N-(thiophen-2-ylmethyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.01717 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.02445 143.7
[M+Na]+ 226.00639 151.4
[M-H]- 202.00989 147.6
[M+NH4]+ 221.05099 165.6
[M+K]+ 241.98033 147.8
[M+H-H2O]+ 186.01443 138.9
[M+HCOO]- 248.01537 158.7
[M+CH3COO]- 262.03102 183.0
[M+Na-2H]- 223.99184 144.2
[M]+ 203.01662 146.7
[M]- 203.01772 146.7
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.