CID 62054287

1-{1-[(3-fluorophenyl)methyl]-1h-1,2,3-triazol-4-yl}methanamine hydrochloride

Structural Information

Molecular Formula
C10H11FN4
SMILES
C1=CC(=CC(=C1)F)CN2C=C(N=N2)CN
InChI
InChI=1S/C10H11FN4/c11-9-3-1-2-8(4-9)6-15-7-10(5-12)13-14-15/h1-4,7H,5-6,12H2
InChIKey
PVJGRFTWCUENQQ-UHFFFAOYSA-N
Compound name
[1-[(3-fluorophenyl)methyl]triazol-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.09677 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.10405 142.6
[M+Na]+ 229.08599 152.0
[M-H]- 205.08949 144.1
[M+NH4]+ 224.13059 158.9
[M+K]+ 245.05993 147.8
[M+H-H2O]+ 189.09403 132.7
[M+HCOO]- 251.09497 164.5
[M+CH3COO]- 265.11062 154.9
[M+Na-2H]- 227.07144 147.7
[M]+ 206.09622 140.7
[M]- 206.09732 140.7
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.