CID 45792058

1197909-94-6

Structural Information

Molecular Formula
C10H12ClNOS
SMILES
C1CC1N(CC2=CSC=C2)C(=O)CCl
InChI
InChI=1S/C10H12ClNOS/c11-5-10(13)12(9-1-2-9)6-8-3-4-14-7-8/h3-4,7,9H,1-2,5-6H2
InChIKey
ZFFAELAOSIKOLB-UHFFFAOYSA-N
Compound name
2-chloro-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.0328 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.04008 142.6
[M+Na]+ 252.02202 151.2
[M-H]- 228.02552 151.2
[M+NH4]+ 247.06662 159.0
[M+K]+ 267.99596 147.5
[M+H-H2O]+ 212.03006 136.7
[M+HCOO]- 274.03100 159.2
[M+CH3COO]- 288.04665 193.0
[M+Na-2H]- 250.00747 143.8
[M]+ 229.03225 149.1
[M]- 229.03335 149.1
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.