CID 3299475

[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanamine

Structural Information

Molecular Formula
C10H9ClN2S
SMILES
C1=CC(=CC=C1C2=CSC(=N2)CN)Cl
InChI
InChI=1S/C10H9ClN2S/c11-8-3-1-7(2-4-8)9-6-14-10(5-12)13-9/h1-4,6H,5,12H2
InChIKey
DSXWLWCFGZLTAR-UHFFFAOYSA-N
Compound name
[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

224.0175 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.02478 145.8
[M+Na]+ 247.00672 159.7
[M+NH4]+ 242.05132 155.8
[M+K]+ 262.98066 151.5
[M-H]- 223.01022 150.6
[M+Na-2H]- 244.99217 154.1
[M]+ 224.01695 149.9
[M]- 224.01805 149.9
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