CID 1479765

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

Structural Information

Molecular Formula
C4H2ClNOS
SMILES
C1=C(SC(=N1)Cl)C=O
InChI
InChI=1S/C4H2ClNOS/c5-4-6-1-3(2-7)8-4/h1-2H
InChIKey
PKCBQQXHFIDIIG-UHFFFAOYSA-N
Compound name
2-chloro-1,3-thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

331
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

literature stripe

Patent stripe

patents stripe