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]+ 225.024776 145.3
[M+Na]+ 247.006718 156.3
[M-H]- 223.010224 151.7
[M+NH4]+ 242.051323 165.6
[M+K]+ 262.980658 150.1
[M+H-H2O]+ 207.014760 139.3
[M+HCOO]- 269.015701 162.0
[M+CH3COO]- 283.031351 159.1
[M+Na-2H]- 244.992166 148.1
[M]+ 224.01695142 148.0
[M]- 224.01804858 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.