CID 2378247

N-(2-chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C9H9ClN2S
SMILES
C1CSC(=N1)NC2=CC=CC=C2Cl
InChI
InChI=1S/C9H9ClN2S/c10-7-3-1-2-4-8(7)12-9-11-5-6-13-9/h1-4H,5-6H2,(H,11,12)
InChIKey
UYQJIPRKMULWTC-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.0175 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.02478 142.4
[M+Na]+ 235.00672 151.7
[M-H]- 211.01022 148.2
[M+NH4]+ 230.05132 162.9
[M+K]+ 250.98066 146.7
[M+H-H2O]+ 195.01476 136.2
[M+HCOO]- 257.01570 157.8
[M+CH3COO]- 271.03135 155.7
[M+Na-2H]- 232.99217 145.5
[M]+ 212.01695 143.5
[M]- 212.01805 143.5
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

No patent data available for this compound.