CID 483861

4-chloro-n-(2-methoxyphenyl)dithiazol-5-imine

Structural Information

Molecular Formula
C9H7ClN2OS2
SMILES
COC1=CC=CC=C1N=C2C(=NSS2)Cl
InChI
InChI=1S/C9H7ClN2OS2/c1-13-7-5-3-2-4-6(7)11-9-8(10)12-15-14-9/h2-5H,1H3
InChIKey
QWBUDHAMQCWDKW-UHFFFAOYSA-N
Compound name
4-chloro-N-(2-methoxyphenyl)dithiazol-5-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.96884 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.97612 150.5
[M+Na]+ 280.95806 162.5
[M-H]- 256.96156 158.4
[M+NH4]+ 276.00266 170.5
[M+K]+ 296.93200 156.9
[M+H-H2O]+ 240.96610 144.8
[M+HCOO]- 302.96704 163.7
[M+CH3COO]- 316.98269 164.3
[M+Na-2H]- 278.94351 152.1
[M]+ 257.96829 156.7
[M]- 257.96939 156.7
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.