CID 64401164

2219375-52-5

Structural Information

Molecular Formula
C10H14ClNS
SMILES
CC1(CCC2=C(C1)SC(=N2)CCl)C
InChI
InChI=1S/C10H14ClNS/c1-10(2)4-3-7-8(5-10)13-9(6-11)12-7/h3-6H2,1-2H3
InChIKey
ISXMJAYHKFYEGJ-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.05354 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.06082 144.0
[M+Na]+ 238.04276 154.3
[M-H]- 214.04626 147.5
[M+NH4]+ 233.08736 168.2
[M+K]+ 254.01670 149.8
[M+H-H2O]+ 198.05080 139.8
[M+HCOO]- 260.05174 155.1
[M+CH3COO]- 274.06739 157.3
[M+Na-2H]- 236.02821 146.5
[M]+ 215.05299 146.8
[M]- 215.05409 146.8
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.