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]+ 207.104046 142.9
[M+Na]+ 229.085988 151.9
[M-H]- 205.089494 143.1
[M+NH4]+ 224.130593 158.5
[M+K]+ 245.059928 146.8
[M+H-H2O]+ 189.094030 133.3
[M+HCOO]- 251.094971 163.4
[M+CH3COO]- 265.110621 154.6
[M+Na-2H]- 227.071436 147.6
[M]+ 206.09622142 139.2
[M]- 206.09731858 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.