CID 13228662

5-chloro-2-methyl-1,3-thiazole

Structural Information

Molecular Formula
C4H4ClNS
SMILES
CC1=NC=C(S1)Cl
InChI
InChI=1S/C4H4ClNS/c1-3-6-2-4(5)7-3/h2H,1H3
InChIKey
OBJJLARZUXETGQ-UHFFFAOYSA-N
Compound name
5-chloro-2-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

132.9753 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.98258 122.1
[M+Na]+ 155.96452 135.4
[M+NH4]+ 151.00912 132.5
[M+K]+ 171.93846 128.1
[M-H]- 131.96802 124.2
[M+Na-2H]- 153.94997 128.4
[M]+ 132.97475 125.3
[M]- 132.97585 125.3
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