CID 2378240

4-cyclopropyl-5-(2-fluorophenyl)-4h-1,2,4-triazole-3-thiol

Structural Information

Molecular Formula
C11H10FN3S
SMILES
C1CC1N2C(=NNC2=S)C3=CC=CC=C3F
InChI
InChI=1S/C11H10FN3S/c12-9-4-2-1-3-8(9)10-13-14-11(16)15(10)7-5-6-7/h1-4,7H,5-6H2,(H,14,16)
InChIKey
HPMFVZZJXKKQLD-UHFFFAOYSA-N
Compound name
4-cyclopropyl-3-(2-fluorophenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

235.05795 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.06523 155.0
[M+Na]+ 258.04717 169.0
[M+NH4]+ 253.09177 163.0
[M+K]+ 274.02111 163.3
[M-H]- 234.05067 163.6
[M+Na-2H]- 256.03262 163.9
[M]+ 235.05740 160.8
[M]- 235.05850 160.8
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.