CID 139022398

2,4-difluoro-1-(2-nitroethyl)benzene

Structural Information

Molecular Formula
C8H7F2NO2
SMILES
C1=CC(=C(C=C1F)F)CC[N+](=O)[O-]
InChI
InChI=1S/C8H7F2NO2/c9-7-2-1-6(8(10)5-7)3-4-11(12)13/h1-2,5H,3-4H2
InChIKey
BEUVKIJDAATYLY-UHFFFAOYSA-N
Compound name
2,4-difluoro-1-(2-nitroethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.04448 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.05176 132.3
[M+Na]+ 210.03370 144.5
[M+NH4]+ 205.07830 139.6
[M+K]+ 226.00764 140.9
[M-H]- 186.03720 133.0
[M+Na-2H]- 208.01915 138.1
[M]+ 187.04393 134.0
[M]- 187.04503 134.0
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

No patent data available for this compound.