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]+ 239.040416 150.1
[M+Na]+ 261.022358 161.3
[M-H]- 237.025864 156.2
[M+NH4]+ 256.066963 169.9
[M+K]+ 276.996298 155.1
[M+H-H2O]+ 221.030400 144.2
[M+HCOO]- 283.031341 165.6
[M+CH3COO]- 297.046991 163.5
[M+Na-2H]- 259.007806 150.8
[M]+ 238.03259142 153.2
[M]- 238.03368858 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.