CID 65696074

2-(1-chloroethyl)-5-phenyl-1,3,4-thiadiazole

Structural Information

Molecular Formula
C10H9ClN2S
SMILES
CC(C1=NN=C(S1)C2=CC=CC=C2)Cl
InChI
InChI=1S/C10H9ClN2S/c1-7(11)9-12-13-10(14-9)8-5-3-2-4-6-8/h2-7H,1H3
InChIKey
WLIBZUFUBAZOAJ-UHFFFAOYSA-N
Compound name
2-(1-chloroethyl)-5-phenyl-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.0175 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.02478 144.8
[M+Na]+ 247.00672 155.2
[M-H]- 223.01022 149.6
[M+NH4]+ 242.05132 163.8
[M+K]+ 262.98066 150.4
[M+H-H2O]+ 207.01476 138.0
[M+HCOO]- 269.01570 158.0
[M+CH3COO]- 283.03135 158.0
[M+Na-2H]- 244.99217 146.6
[M]+ 224.01695 148.3
[M]- 224.01805 148.3
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.