CID 10607405

5-(4-fluorobenzyl)-2h-tetrazole

Structural Information

Molecular Formula
C8H7FN4
SMILES
C1=CC(=CC=C1CC2=NNN=N2)F
InChI
InChI=1S/C8H7FN4/c9-7-3-1-6(2-4-7)5-8-10-12-13-11-8/h1-4H,5H2,(H,10,11,12,13)
InChIKey
JDPCFNUQAFMWSH-UHFFFAOYSA-N
Compound name
5-[(4-fluorophenyl)methyl]-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

178.06548 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.07276 134.5
[M+Na]+ 201.05470 144.3
[M-H]- 177.05820 133.6
[M+NH4]+ 196.09930 150.1
[M+K]+ 217.02864 140.0
[M+H-H2O]+ 161.06274 124.4
[M+HCOO]- 223.06368 153.7
[M+CH3COO]- 237.07933 146.6
[M+Na-2H]- 199.04015 141.2
[M]+ 178.06493 131.8
[M]- 178.06603 131.8
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

patents stripe