CID 151863603

2-azido-3-fluorobenzonitrile

Structural Information

Molecular Formula
C7H3FN4
SMILES
C1=CC(=C(C(=C1)F)N=[N+]=[N-])C#N
InChI
InChI=1S/C7H3FN4/c8-6-3-1-2-5(4-9)7(6)11-12-10/h1-3H
InChIKey
SLFDBOIZRSXXRS-UHFFFAOYSA-N
Compound name
2-azido-3-fluorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.03418 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.04146 133.7
[M+Na]+ 185.02340 143.8
[M-H]- 161.02690 138.1
[M+NH4]+ 180.06800 152.2
[M+K]+ 200.99734 137.6
[M+H-H2O]+ 145.03144 124.0
[M+HCOO]- 207.03238 159.7
[M+CH3COO]- 221.04803 193.9
[M+Na-2H]- 183.00885 142.6
[M]+ 162.03363 125.5
[M]- 162.03473 125.5
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

No patent data available for this compound.