CID 3015328

2-chloro-4-methylthiazole

Structural Information

Molecular Formula
C4H4ClNS
SMILES
CC1=CSC(=N1)Cl
InChI
InChI=1S/C4H4ClNS/c1-3-2-7-4(5)6-3/h2H,1H3
InChIKey
SYDUUJIIXIOTQT-UHFFFAOYSA-N
Compound name
2-chloro-4-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

420
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 120.4
[M+Na]+ 155.96452 132.0
[M-H]- 131.96802 123.8
[M+NH4]+ 151.00912 144.7
[M+K]+ 171.93846 129.0
[M+H-H2O]+ 115.97256 116.1
[M+HCOO]- 177.97350 136.1
[M+CH3COO]- 191.98915 168.1
[M+Na-2H]- 153.94997 123.9
[M]+ 132.97475 124.0
[M]- 132.97585 124.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe