CID 10535655

198904-53-9

Structural Information

Molecular Formula
C10H7NOS
SMILES
C1=CC(=CC=C1C=O)C2=NC=CS2
InChI
InChI=1S/C10H7NOS/c12-7-8-1-3-9(4-2-8)10-11-5-6-13-10/h1-7H
InChIKey
LQLBILPEELCFQI-UHFFFAOYSA-N
Compound name
4-(1,3-thiazol-2-yl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

299
Patents

189.02484 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.03212 138.5
[M+Na]+ 212.01406 152.5
[M+NH4]+ 207.05866 148.2
[M+K]+ 227.98800 144.7
[M-H]- 188.01756 142.5
[M+Na-2H]- 209.99951 147.1
[M]+ 189.02429 142.2
[M]- 189.02539 142.2
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