CID 736524

20949-81-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

257
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 137.3
[M+Na]+ 212.01406 147.7
[M-H]- 188.01756 143.7
[M+NH4]+ 207.05866 158.2
[M+K]+ 227.98800 144.0
[M+H-H2O]+ 172.02210 130.9
[M+HCOO]- 234.02304 158.1
[M+CH3COO]- 248.03869 151.8
[M+Na-2H]- 209.99951 140.9
[M]+ 189.02429 139.9
[M]- 189.02539 139.9
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