CID 46311787

2-(difluoromethyl)-4-fluoro-1-nitrobenzene

Structural Information

Molecular Formula
C7H4F3NO2
SMILES
C1=CC(=C(C=C1F)C(F)F)[N+](=O)[O-]
InChI
InChI=1S/C7H4F3NO2/c8-4-1-2-6(11(12)13)5(3-4)7(9)10/h1-3,7H
InChIKey
ADBUIWGABVQONJ-UHFFFAOYSA-N
Compound name
2-(difluoromethyl)-4-fluoro-1-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

191.01941 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.02669 131.7
[M+Na]+ 214.00863 142.3
[M+NH4]+ 209.05323 137.9
[M+K]+ 229.98257 139.9
[M-H]- 190.01213 130.6
[M+Na-2H]- 211.99408 136.5
[M]+ 191.01886 132.5
[M]- 191.01996 132.5
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