CID 45790497

2,4-difluoro-3-nitrobenzonitrile

Structural Information

Molecular Formula
C7H2F2N2O2
SMILES
C1=CC(=C(C(=C1C#N)F)[N+](=O)[O-])F
InChI
InChI=1S/C7H2F2N2O2/c8-5-2-1-4(3-10)6(9)7(5)11(12)13/h1-2H
InChIKey
HESWWHRCQMLPFT-UHFFFAOYSA-N
Compound name
2,4-difluoro-3-nitrobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

184.00844 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.01572 132.7
[M+Na]+ 206.99766 144.0
[M-H]- 183.00116 134.2
[M+NH4]+ 202.04226 150.1
[M+K]+ 222.97160 137.8
[M+H-H2O]+ 167.00570 123.5
[M+HCOO]- 229.00664 153.2
[M+CH3COO]- 243.02229 189.4
[M+Na-2H]- 204.98311 138.7
[M]+ 184.00789 124.8
[M]- 184.00899 124.8
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