CID 67957808

2-amino-6-fluoro-3-nitrobenzonitrile

Structural Information

Molecular Formula
C7H4FN3O2
SMILES
C1=CC(=C(C(=C1[N+](=O)[O-])N)C#N)F
InChI
InChI=1S/C7H4FN3O2/c8-5-1-2-6(11(12)13)7(10)4(5)3-9/h1-2H,10H2
InChIKey
OLVYIQOIYHAYDU-UHFFFAOYSA-N
Compound name
2-amino-6-fluoro-3-nitrobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

181.02875 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.03603 137.2
[M+Na]+ 204.01797 147.5
[M-H]- 180.02147 139.3
[M+NH4]+ 199.06257 154.0
[M+K]+ 219.99191 141.5
[M+H-H2O]+ 164.02601 128.4
[M+HCOO]- 226.02695 158.8
[M+CH3COO]- 240.04260 190.5
[M+Na-2H]- 202.00342 142.7
[M]+ 181.02820 128.5
[M]- 181.02930 128.5
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

patents stripe