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

38
Patents

189.02374 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.031016 131.6
[M+Na]+ 212.012958 139.4
[M-H]- 188.016464 133.0
[M+NH4]+ 207.057563 150.3
[M+K]+ 227.986898 134.4
[M+H-H2O]+ 172.021000 128.8
[M+HCOO]- 234.021941 155.2
[M+CH3COO]- 248.037591 176.0
[M+Na-2H]- 209.998406 138.6
[M]+ 189.02319142 128.6
[M]- 189.02428858 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