CID 2763193

4-(chloromethyl)-2-isopropyl-1,3-thiazole

Structural Information

Molecular Formula
C7H10ClNS
SMILES
CC(C)C1=NC(=CS1)CCl
InChI
InChI=1S/C7H10ClNS/c1-5(2)7-9-6(3-8)4-10-7/h4-5H,3H2,1-2H3
InChIKey
YGTDRZIMYRYHHD-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-propan-2-yl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

292
Patents

175.02225 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.02953 134.2
[M+Na]+ 198.01147 144.2
[M-H]- 174.01497 137.2
[M+NH4]+ 193.05607 156.8
[M+K]+ 213.98541 140.9
[M+H-H2O]+ 158.01951 129.4
[M+HCOO]- 220.02045 147.9
[M+CH3COO]- 234.03610 177.9
[M+Na-2H]- 195.99692 135.1
[M]+ 175.02170 138.3
[M]- 175.02280 138.3
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

patents stripe