CID 20555849

2-(chloromethyl)-5-methylthiazole

Structural Information

Molecular Formula
C5H6ClNS
SMILES
CC1=CN=C(S1)CCl
InChI
InChI=1S/C5H6ClNS/c1-4-3-7-5(2-6)8-4/h3H,2H2,1H3
InChIKey
BXCZTQRACVHZIB-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

146.99095 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.99823 126.5
[M+Na]+ 169.98017 139.6
[M+NH4]+ 165.02477 136.8
[M+K]+ 185.95411 132.1
[M-H]- 145.98367 128.6
[M+Na-2H]- 167.96562 132.6
[M]+ 146.99040 129.7
[M]- 146.99150 129.7
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