CID 12790769

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

Structural Information

Molecular Formula
C7H10ClNS
SMILES
CCCC1=NC(=CS1)CCl
InChI
InChI=1S/C7H10ClNS/c1-2-3-7-9-6(4-8)5-10-7/h5H,2-4H2,1H3
InChIKey
PAZHFVKPFFPSEK-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-propyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

175.02225 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.029526 134.0
[M+Na]+ 198.011468 144.3
[M-H]- 174.014974 136.9
[M+NH4]+ 193.056073 156.7
[M+K]+ 213.985408 140.6
[M+H-H2O]+ 158.019510 129.1
[M+HCOO]- 220.020451 148.8
[M+CH3COO]- 234.036101 177.1
[M+Na-2H]- 195.996916 136.0
[M]+ 175.02170142 138.7
[M]- 175.02279858 138.7
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

patents stripe