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 148.2
[M+Na]+ 258.04717 161.1
[M-H]- 234.05067 153.1
[M+NH4]+ 253.09177 159.5
[M+K]+ 274.02111 153.7
[M+H-H2O]+ 218.05521 139.6
[M+HCOO]- 280.05615 164.1
[M+CH3COO]- 294.07180 160.2
[M+Na-2H]- 256.03262 148.9
[M]+ 235.05740 149.5
[M]- 235.05850 149.5
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.