CID 16727890

Schembl5940979

Structural Information

Molecular Formula
C10H5Cl2N3OS
SMILES
C1=CC(=C(C(=C1)Cl)Cl)NC2=C(C(=O)NS2)C#N
InChI
InChI=1S/C10H5Cl2N3OS/c11-6-2-1-3-7(8(6)12)14-10-5(4-13)9(16)15-17-10/h1-3,14H,(H,15,16)
InChIKey
FMAFVMHYGGNXET-UHFFFAOYSA-N
Compound name
5-(2,3-dichloroanilino)-3-oxo-1,2-thiazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

284.95303 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.96031 166.2
[M+Na]+ 307.94225 180.2
[M-H]- 283.94575 170.4
[M+NH4]+ 302.98685 182.2
[M+K]+ 323.91619 172.1
[M+H-H2O]+ 267.95029 154.8
[M+HCOO]- 329.95123 173.6
[M+CH3COO]- 343.96688 176.8
[M+Na-2H]- 305.92770 166.0
[M]+ 284.95248 164.5
[M]- 284.95358 164.5
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

patents stripe