CID 39869672

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

Structural Information

Molecular Formula
C11H9ClFN3
SMILES
C1CC1C2=NN=C(N2C3=CC=C(C=C3)F)Cl
InChI
InChI=1S/C11H9ClFN3/c12-11-15-14-10(7-1-2-7)16(11)9-5-3-8(13)4-6-9/h3-7H,1-2H2
InChIKey
YLMNNHFAOPOZIJ-UHFFFAOYSA-N
Compound name
3-chloro-5-cyclopropyl-4-(4-fluorophenyl)-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.0469 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.05418 151.4
[M+Na]+ 260.03612 164.1
[M-H]- 236.03962 156.5
[M+NH4]+ 255.08072 162.9
[M+K]+ 276.01006 157.2
[M+H-H2O]+ 220.04416 141.3
[M+HCOO]- 282.04510 168.3
[M+CH3COO]- 296.06075 163.4
[M+Na-2H]- 258.02157 154.6
[M]+ 237.04635 154.1
[M]- 237.04745 154.1
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.