CID 43307112

1-(azidomethyl)-3-fluorobenzene

Structural Information

Molecular Formula
C7H6FN3
SMILES
C1=CC(=CC(=C1)F)CN=[N+]=[N-]
InChI
InChI=1S/C7H6FN3/c8-7-3-1-2-6(4-7)5-10-11-9/h1-4H,5H2
InChIKey
BMKYIDKVBAKRAK-UHFFFAOYSA-N
Compound name
1-(azidomethyl)-3-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

151.05458 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.061856 124.8
[M+Na]+ 174.043798 132.7
[M-H]- 150.047304 130.1
[M+NH4]+ 169.088403 146.2
[M+K]+ 190.017738 126.8
[M+H-H2O]+ 134.051840 122.2
[M+HCOO]- 196.052781 155.8
[M+CH3COO]- 210.068431 179.3
[M+Na-2H]- 172.029246 136.2
[M]+ 151.05403142 121.5
[M]- 151.05512858 121.5
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