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 150.6
[M+Na]+ 261.02236 164.7
[M+NH4]+ 256.06696 160.5
[M+K]+ 276.99630 156.4
[M-H]- 237.02586 155.5
[M+Na-2H]- 259.00781 158.4
[M]+ 238.03259 154.8
[M]- 238.03369 154.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.