CID 9942345

2-chloro-4h,5h,6h,7h,8h-cyclohepta[d][1,3]thiazole

Structural Information

Molecular Formula
C8H10ClNS
SMILES
C1CCC2=C(CC1)SC(=N2)Cl
InChI
InChI=1S/C8H10ClNS/c9-8-10-6-4-2-1-3-5-7(6)11-8/h1-5H2
InChIKey
KAEIHGMOPYMKAZ-UHFFFAOYSA-N
Compound name
2-chloro-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.02225 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.02953 133.8
[M+Na]+ 210.01147 144.3
[M+NH4]+ 205.05607 143.7
[M+K]+ 225.98541 138.4
[M-H]- 186.01497 136.1
[M+Na-2H]- 207.99692 139.0
[M]+ 187.02170 136.7
[M]- 187.02280 136.7
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.