CID 3107996

2-chloro-n-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

Structural Information

Molecular Formula
C9H11ClN2OS
SMILES
C1CCC2=C(C1)N=C(S2)NC(=O)CCl
InChI
InChI=1S/C9H11ClN2OS/c10-5-8(13)12-9-11-6-3-1-2-4-7(6)14-9/h1-5H2,(H,11,12,13)
InChIKey
YTIVGTKPWXNVDJ-UHFFFAOYSA-N
Compound name
2-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.02806 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.03534 147.6
[M+Na]+ 253.01728 155.5
[M-H]- 229.02078 150.5
[M+NH4]+ 248.06188 168.3
[M+K]+ 268.99122 151.3
[M+H-H2O]+ 213.02532 142.3
[M+HCOO]- 275.02626 159.3
[M+CH3COO]- 289.04191 186.9
[M+Na-2H]- 251.00273 149.6
[M]+ 230.02751 148.7
[M]- 230.02861 148.7
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.