CID 3538814

4-phenylthiazole-2-carbaldehyde

Structural Information

Molecular Formula
C10H7NOS
SMILES
C1=CC=C(C=C1)C2=CSC(=N2)C=O
InChI
InChI=1S/C10H7NOS/c12-6-10-11-9(7-13-10)8-4-2-1-3-5-8/h1-7H
InChIKey
DJWIXPPOXVIXSZ-UHFFFAOYSA-N
Compound name
4-phenyl-1,3-thiazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

189.02484 Da
Monoisotopic Mass

2.4
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

literature stripe

Patent stripe

patents stripe