CID 2334244

1049759-70-7

Structural Information

Molecular Formula
C10H9ClN2S
SMILES
C1=CC=C(C(=C1)CN2C=CSC2=N)Cl
InChI
InChI=1S/C10H9ClN2S/c11-9-4-2-1-3-8(9)7-13-5-6-14-10(13)12/h1-6,12H,7H2
InChIKey
PDOXICPXNCFOEM-UHFFFAOYSA-N
Compound name
3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.0175 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.02478 145.3
[M+Na]+ 247.00672 156.3
[M-H]- 223.01022 151.7
[M+NH4]+ 242.05132 165.6
[M+K]+ 262.98066 150.1
[M+H-H2O]+ 207.01476 139.3
[M+HCOO]- 269.01570 162.0
[M+CH3COO]- 283.03135 159.1
[M+Na-2H]- 244.99217 148.1
[M]+ 224.01695 148.0
[M]- 224.01805 148.0
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.