CID 11030154

2-amino-4-chloro-1,3-thiazole-5-carbaldehyde

Structural Information

Molecular Formula
C4H3ClN2OS
SMILES
C(=O)C1=C(N=C(S1)N)Cl
InChI
InChI=1S/C4H3ClN2OS/c5-3-2(1-8)9-4(6)7-3/h1H,(H2,6,7)
InChIKey
KJRBYUWRYRRPKN-UHFFFAOYSA-N
Compound name
2-amino-4-chloro-1,3-thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

341
Patents

161.96545 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.97273 127.5
[M+Na]+ 184.95467 139.2
[M-H]- 160.95817 130.6
[M+NH4]+ 179.99927 150.1
[M+K]+ 200.92861 135.3
[M+H-H2O]+ 144.96271 122.9
[M+HCOO]- 206.96365 143.9
[M+CH3COO]- 220.97930 174.2
[M+Na-2H]- 182.94012 129.8
[M]+ 161.96490 130.4
[M]- 161.96600 130.4
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