CID 2774117

1-(difluoromethoxy)-3-nitrobenzene

Structural Information

Molecular Formula
C7H5F2NO3
SMILES
C1=CC(=CC(=C1)OC(F)F)[N+](=O)[O-]
InChI
InChI=1S/C7H5F2NO3/c8-7(9)13-6-3-1-2-5(4-6)10(11)12/h1-4,7H
InChIKey
NYVCZALWNPMMSQ-UHFFFAOYSA-N
Compound name
1-(difluoromethoxy)-3-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

189.02374 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.03102 130.6
[M+Na]+ 212.01296 141.8
[M+NH4]+ 207.05756 137.4
[M+K]+ 227.98690 139.6
[M-H]- 188.01646 130.6
[M+Na-2H]- 209.99841 136.1
[M]+ 189.02319 131.8
[M]- 189.02429 131.8
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