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

289
Patents

175.02225 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.029526 134.2
[M+Na]+ 198.011468 144.2
[M-H]- 174.014974 137.2
[M+NH4]+ 193.056073 156.8
[M+K]+ 213.985408 140.9
[M+H-H2O]+ 158.019510 129.4
[M+HCOO]- 220.020451 147.9
[M+CH3COO]- 234.036101 177.9
[M+Na-2H]- 195.996916 135.1
[M]+ 175.02170142 138.3
[M]- 175.02279858 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