CID 65360509

Ethyl[2-(4-fluorophenyl)-1-(4h-1,2,4-triazol-3-yl)ethyl]amine hydrochloride

Structural Information

Molecular Formula
C12H15FN4
SMILES
CCNC(CC1=CC=C(C=C1)F)C2=NC=NN2
InChI
InChI=1S/C12H15FN4/c1-2-14-11(12-15-8-16-17-12)7-9-3-5-10(13)6-4-9/h3-6,8,11,14H,2,7H2,1H3,(H,15,16,17)
InChIKey
PYBBXKOZFUDPEQ-UHFFFAOYSA-N
Compound name
N-ethyl-2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.12808 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.13536 151.5
[M+Na]+ 257.11730 158.3
[M-H]- 233.12080 151.5
[M+NH4]+ 252.16190 165.8
[M+K]+ 273.09124 153.7
[M+H-H2O]+ 217.12534 141.2
[M+HCOO]- 279.12628 170.9
[M+CH3COO]- 293.14193 191.0
[M+Na-2H]- 255.10275 155.7
[M]+ 234.12753 148.4
[M]- 234.12863 148.4
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.