CID 65362913

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

Structural Information

Molecular Formula
C11H12F2N4
SMILES
CNC(CC1=C(C=C(C=C1)F)F)C2=NC=NN2
InChI
InChI=1S/C11H12F2N4/c1-14-10(11-15-6-16-17-11)4-7-2-3-8(12)5-9(7)13/h2-3,5-6,10,14H,4H2,1H3,(H,15,16,17)
InChIKey
XTYYCZHXMHNGKA-UHFFFAOYSA-N
Compound name
2-(2,4-difluorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.103 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.11028 149.7
[M+Na]+ 261.09222 158.0
[M-H]- 237.09572 148.9
[M+NH4]+ 256.13682 164.1
[M+K]+ 277.06616 153.0
[M+H-H2O]+ 221.10026 139.0
[M+HCOO]- 283.10120 168.4
[M+CH3COO]- 297.11685 191.9
[M+Na-2H]- 259.07767 153.1
[M]+ 238.10245 145.6
[M]- 238.10355 145.6
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.