CID 65362721

2-(2,4-difluorophenyl)-1-(4h-1,2,4-triazol-3-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C10H10F2N4
SMILES
C1=CC(=C(C=C1F)F)CC(C2=NC=NN2)N
InChI
InChI=1S/C10H10F2N4/c11-7-2-1-6(8(12)4-7)3-9(13)10-14-5-15-16-10/h1-2,4-5,9H,3,13H2,(H,14,15,16)
InChIKey
VUMFWQUOTSEDEB-UHFFFAOYSA-N
Compound name
2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.08736 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.09464 145.5
[M+Na]+ 247.07658 154.3
[M-H]- 223.08008 144.4
[M+NH4]+ 242.12118 160.2
[M+K]+ 263.05052 149.2
[M+H-H2O]+ 207.08462 135.0
[M+HCOO]- 269.08556 163.9
[M+CH3COO]- 283.10121 188.3
[M+Na-2H]- 245.06203 148.4
[M]+ 224.08681 140.1
[M]- 224.08791 140.1
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.