CID 18506744

4-(azidomethyl)-3-fluorobenzonitrile

Structural Information

Molecular Formula
C8H5FN4
SMILES
C1=CC(=C(C=C1C#N)F)CN=[N+]=[N-]
InChI
InChI=1S/C8H5FN4/c9-8-3-6(4-10)1-2-7(8)5-12-13-11/h1-3H,5H2
InChIKey
ADMKTJUEGNLANC-UHFFFAOYSA-N
Compound name
4-(azidomethyl)-3-fluorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

176.04982 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.05710 137.8
[M+Na]+ 199.03904 147.5
[M-H]- 175.04254 142.1
[M+NH4]+ 194.08364 155.8
[M+K]+ 215.01298 141.1
[M+H-H2O]+ 159.04708 127.9
[M+HCOO]- 221.04802 163.6
[M+CH3COO]- 235.06367 196.6
[M+Na-2H]- 197.02449 146.2
[M]+ 176.04927 130.0
[M]- 176.05037 130.0
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