CID 44119612

5-chlorothiazole-2-carbaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

146.95456 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.961836 123.0
[M+Na]+ 169.943778 134.8
[M-H]- 145.947284 126.5
[M+NH4]+ 164.988383 146.6
[M+K]+ 185.917718 131.7
[M+H-H2O]+ 129.951820 118.7
[M+HCOO]- 191.952761 139.2
[M+CH3COO]- 205.968411 169.1
[M+Na-2H]- 167.929226 126.6
[M]+ 146.95401142 127.3
[M]- 146.95510858 127.3
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