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]+ 207.104046 142.6
[M+Na]+ 229.085988 152.0
[M-H]- 205.089494 144.1
[M+NH4]+ 224.130593 158.9
[M+K]+ 245.059928 147.8
[M+H-H2O]+ 189.094030 132.7
[M+HCOO]- 251.094971 164.5
[M+CH3COO]- 265.110621 154.9
[M+Na-2H]- 227.071436 147.7
[M]+ 206.09622142 140.7
[M]- 206.09731858 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.