CID 26599155

5198-79-8

Structural Information

Molecular Formula
C4H2ClNOS
SMILES
C1=C(N=C(S1)Cl)C=O
InChI
InChI=1S/C4H2ClNOS/c5-4-6-3(1-7)2-8-4/h1-2H
InChIKey
JGIIXKZUXXDKOO-UHFFFAOYSA-N
Compound name
2-chloro-1,3-thiazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

146.95456 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.96184 123.0
[M+Na]+ 169.94378 134.8
[M-H]- 145.94728 126.5
[M+NH4]+ 164.98838 146.6
[M+K]+ 185.91772 131.7
[M+H-H2O]+ 129.95182 118.7
[M+HCOO]- 191.95276 139.2
[M+CH3COO]- 205.96841 169.1
[M+Na-2H]- 167.92923 126.6
[M]+ 146.95401 127.3
[M]- 146.95511 127.4
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