CID 62951663

2287311-77-5

Structural Information

Molecular Formula
C10H11FN4
SMILES
C1=CC(=CC=C1CC2=NC(=NN2)CN)F
InChI
InChI=1S/C10H11FN4/c11-8-3-1-7(2-4-8)5-9-13-10(6-12)15-14-9/h1-4H,5-6,12H2,(H,13,14,15)
InChIKey
BTQUEAYPZDWHDP-UHFFFAOYSA-N
Compound name
[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.09677 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.10405 142.9
[M+Na]+ 229.08599 151.9
[M-H]- 205.08949 143.1
[M+NH4]+ 224.13059 158.5
[M+K]+ 245.05993 146.8
[M+H-H2O]+ 189.09403 133.3
[M+HCOO]- 251.09497 163.4
[M+CH3COO]- 265.11062 154.6
[M+Na-2H]- 227.07144 147.6
[M]+ 206.09622 139.2
[M]- 206.09732 139.2
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.