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]+ 225.024776 144.8
[M+Na]+ 247.006718 155.2
[M-H]- 223.010224 149.6
[M+NH4]+ 242.051323 163.8
[M+K]+ 262.980658 150.4
[M+H-H2O]+ 207.014760 138.0
[M+HCOO]- 269.015701 158.0
[M+CH3COO]- 283.031351 158.0
[M+Na-2H]- 244.992166 146.6
[M]+ 224.01695142 148.3
[M]- 224.01804858 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.