CID 10887974

1-azido-4-fluorobenzene

Structural Information

Molecular Formula
C6H4FN3
SMILES
C1=CC(=CC=C1N=[N+]=[N-])F
InChI
InChI=1S/C6H4FN3/c7-5-1-3-6(4-2-5)9-10-8/h1-4H
InChIKey
VHFLTICYUZLEII-UHFFFAOYSA-N
Compound name
1-azido-4-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

257
Patents

137.03893 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.04621 120.0
[M+Na]+ 160.02815 128.3
[M-H]- 136.03165 125.5
[M+NH4]+ 155.07275 141.9
[M+K]+ 176.00209 122.7
[M+H-H2O]+ 120.03619 117.5
[M+HCOO]- 182.03713 151.3
[M+CH3COO]- 196.05278 176.2
[M+Na-2H]- 158.01360 131.9
[M]+ 137.03838 116.3
[M]- 137.03948 116.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe