CID 483860

St4094205

Structural Information

Molecular Formula
C8H5ClN2S2
SMILES
C1=CC=C(C=C1)N=C2C(=NSS2)Cl
InChI
InChI=1S/C8H5ClN2S2/c9-7-8(12-13-11-7)10-6-4-2-1-3-5-6/h1-5H
InChIKey
VBEGPXRLUXVFCG-UHFFFAOYSA-N
Compound name
4-chloro-N-phenyldithiazol-5-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

7
Patents

227.95827 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.96555 142.7
[M+Na]+ 250.94749 154.7
[M-H]- 226.95099 150.5
[M+NH4]+ 245.99209 163.7
[M+K]+ 266.92143 148.8
[M+H-H2O]+ 210.95553 137.1
[M+HCOO]- 272.95647 156.0
[M+CH3COO]- 286.97212 156.9
[M+Na-2H]- 248.93294 145.2
[M]+ 227.95772 146.8
[M]- 227.95882 146.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe