CID 21282651

1-(azidomethyl)-2-fluorobenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

152
Patents

151.05458 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.06186 124.8
[M+Na]+ 174.04380 132.7
[M-H]- 150.04730 130.1
[M+NH4]+ 169.08840 146.2
[M+K]+ 190.01774 126.8
[M+H-H2O]+ 134.05184 122.2
[M+HCOO]- 196.05278 155.8
[M+CH3COO]- 210.06843 179.3
[M+Na-2H]- 172.02925 136.2
[M]+ 151.05403 121.5
[M]- 151.05513 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