CID 8893235

5-(chloromethyl)-n-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide

Structural Information

Molecular Formula
C10H7Cl2N3OS
SMILES
C1=CC(=CC=C1NC(=O)C2=NN=C(S2)CCl)Cl
InChI
InChI=1S/C10H7Cl2N3OS/c11-5-8-14-15-10(17-8)9(16)13-7-3-1-6(12)2-4-7/h1-4H,5H2,(H,13,16)
InChIKey
QYTAZWQXMKULLS-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.9687 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.97598 157.9
[M+Na]+ 309.95792 168.4
[M-H]- 285.96142 162.3
[M+NH4]+ 305.00252 174.5
[M+K]+ 325.93186 162.3
[M+H-H2O]+ 269.96596 151.3
[M+HCOO]- 331.96690 167.3
[M+CH3COO]- 345.98255 169.8
[M+Na-2H]- 307.94337 159.0
[M]+ 286.96815 162.5
[M]- 286.96925 162.5
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

No patent data available for this compound.