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

10
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 145.5
[M+Na]+ 247.00672 156.2
[M-H]- 223.01022 151.4
[M+NH4]+ 242.05132 165.6
[M+K]+ 262.98066 150.3
[M+H-H2O]+ 207.01476 139.5
[M+HCOO]- 269.01570 161.4
[M+CH3COO]- 283.03135 159.0
[M+Na-2H]- 244.99217 147.4
[M]+ 224.01695 147.9
[M]- 224.01805 147.9
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