CID 483893

4-chloro-n-(3,4-dimethoxyphenyl)dithiazol-5-imine

Structural Information

Molecular Formula
C10H9ClN2O2S2
SMILES
COC1=C(C=C(C=C1)N=C2C(=NSS2)Cl)OC
InChI
InChI=1S/C10H9ClN2O2S2/c1-14-7-4-3-6(5-8(7)15-2)12-10-9(11)13-17-16-10/h3-5H,1-2H3
InChIKey
XLGKLAWAGIZLKI-UHFFFAOYSA-N
Compound name
4-chloro-N-(3,4-dimethoxyphenyl)dithiazol-5-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.9794 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.98668 158.1
[M+Na]+ 310.96862 170.1
[M-H]- 286.97212 166.1
[M+NH4]+ 306.01322 176.9
[M+K]+ 326.94256 164.7
[M+H-H2O]+ 270.97666 152.2
[M+HCOO]- 332.97760 171.0
[M+CH3COO]- 346.99325 198.0
[M+Na-2H]- 308.95407 158.9
[M]+ 287.97885 166.3
[M]- 287.97995 166.3
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.