CID 28818841

5-[(2-chloro-3-methylphenyl)methyl]-2,3-dihydro-1,3-thiazol-2-imine

Structural Information

Molecular Formula
C11H11ClN2S
SMILES
CC1=C(C(=CC=C1)CC2=CN=C(S2)N)Cl
InChI
InChI=1S/C11H11ClN2S/c1-7-3-2-4-8(10(7)12)5-9-6-14-11(13)15-9/h2-4,6H,5H2,1H3,(H2,13,14)
InChIKey
BOZLAARKSJWJEZ-UHFFFAOYSA-N
Compound name
5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.03314 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.04042 150.1
[M+Na]+ 261.02236 161.3
[M-H]- 237.02586 156.2
[M+NH4]+ 256.06696 169.9
[M+K]+ 276.99630 155.1
[M+H-H2O]+ 221.03040 144.2
[M+HCOO]- 283.03134 165.6
[M+CH3COO]- 297.04699 163.5
[M+Na-2H]- 259.00781 150.8
[M]+ 238.03259 153.2
[M]- 238.03369 153.2
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.