CID 216902

37853-07-9

Structural Information

Molecular Formula
C9H7ClN2O2S
SMILES
C1=CSC(=C1)C2=NOC(=C2)NC(=O)CCl
InChI
InChI=1S/C9H7ClN2O2S/c10-5-8(13)11-9-4-6(12-14-9)7-2-1-3-15-7/h1-4H,5H2,(H,11,13)
InChIKey
WBEIEJAUBKNVKG-UHFFFAOYSA-N
Compound name
2-chloro-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.99167 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.998946 150.6
[M+Na]+ 264.980888 161.7
[M-H]- 240.984394 158.3
[M+NH4]+ 260.025493 170.4
[M+K]+ 280.954828 158.7
[M+H-H2O]+ 224.988930 145.1
[M+HCOO]- 286.989871 168.4
[M+CH3COO]- 301.005521 164.8
[M+Na-2H]- 262.966336 152.7
[M]+ 241.99112142 157.4
[M]- 241.99221858 157.4
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.