CID 22969193

857549-84-9

Structural Information

Molecular Formula
C5H6ClNS
SMILES
CCC1=CN=C(S1)Cl
InChI
InChI=1S/C5H6ClNS/c1-2-4-3-7-5(6)8-4/h3H,2H2,1H3
InChIKey
PDCCSNAOZCFXCN-UHFFFAOYSA-N
Compound name
2-chloro-5-ethyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

215
Patents

146.99095 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.99823 124.9
[M+Na]+ 169.98017 136.1
[M-H]- 145.98367 128.2
[M+NH4]+ 165.02477 148.7
[M+K]+ 185.95411 132.9
[M+H-H2O]+ 129.98821 120.4
[M+HCOO]- 191.98915 140.3
[M+CH3COO]- 206.00480 171.1
[M+Na-2H]- 167.96562 127.9
[M]+ 146.99040 128.9
[M]- 146.99150 128.9
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