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

7
Patents

224.0175 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.024776 145.5
[M+Na]+ 247.006718 156.2
[M-H]- 223.010224 151.4
[M+NH4]+ 242.051323 165.6
[M+K]+ 262.980658 150.3
[M+H-H2O]+ 207.014760 139.5
[M+HCOO]- 269.015701 161.4
[M+CH3COO]- 283.031351 159.0
[M+Na-2H]- 244.992166 147.4
[M]+ 224.01695142 147.9
[M]- 224.01804858 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