CID 2774117

3-(difluoromethoxy)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

34
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 131.6
[M+Na]+ 212.01296 139.4
[M-H]- 188.01646 133.0
[M+NH4]+ 207.05756 150.3
[M+K]+ 227.98690 134.4
[M+H-H2O]+ 172.02100 128.8
[M+HCOO]- 234.02194 155.2
[M+CH3COO]- 248.03759 176.0
[M+Na-2H]- 209.99841 138.6
[M]+ 189.02319 128.6
[M]- 189.02429 128.6
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