CID 18525725

885465-97-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
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 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

No literature data available for this compound.

Patent stripe

patents stripe