CID 483866

4-chloro-n-(1-naphthyl)dithiazol-5-imine

Structural Information

Molecular Formula
C12H7ClN2S2
SMILES
C1=CC=C2C(=C1)C=CC=C2N=C3C(=NSS3)Cl
InChI
InChI=1S/C12H7ClN2S2/c13-11-12(16-17-15-11)14-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKey
XCMWTQXBHJXEQN-UHFFFAOYSA-N
Compound name
4-chloro-N-naphthalen-1-yldithiazol-5-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.9739 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.98118 154.9
[M+Na]+ 300.96312 168.7
[M-H]- 276.96662 163.9
[M+NH4]+ 296.00772 175.3
[M+K]+ 316.93706 161.4
[M+H-H2O]+ 260.97116 149.4
[M+HCOO]- 322.97210 168.5
[M+CH3COO]- 336.98775 169.0
[M+Na-2H]- 298.94857 159.4
[M]+ 277.97335 161.6
[M]- 277.97445 161.6
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.