CID 21052312

866329-08-0

Structural Information

Molecular Formula
C5H4ClNOS
SMILES
CC1=NC(=C(S1)C=O)Cl
InChI
InChI=1S/C5H4ClNOS/c1-3-7-5(6)4(2-8)9-3/h2H,1H3
InChIKey
NFLMSYWHFBVICE-UHFFFAOYSA-N
Compound name
4-chloro-2-methyl-1,3-thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

160.97021 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.97749 127.0
[M+Na]+ 183.95943 139.2
[M-H]- 159.96293 130.6
[M+NH4]+ 179.00403 150.3
[M+K]+ 199.93337 135.8
[M+H-H2O]+ 143.96747 122.8
[M+HCOO]- 205.96841 142.8
[M+CH3COO]- 219.98406 173.2
[M+Na-2H]- 181.94488 129.4
[M]+ 160.96966 132.1
[M]- 160.97076 132.1
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