CID 119892

28202-31-5

Structural Information

Molecular Formula
C8H5F4NO3
SMILES
C1=CC=C(C(=C1)[N+](=O)[O-])OC(C(F)F)(F)F
InChI
InChI=1S/C8H5F4NO3/c9-7(10)8(11,12)16-6-4-2-1-3-5(6)13(14)15/h1-4,7H
InChIKey
NZPNQVWBJNSDMV-UHFFFAOYSA-N
Compound name
1-nitro-2-(1,1,2,2-tetrafluoroethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

239.02055 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.027826 140.2
[M+Na]+ 262.009768 148.1
[M-H]- 238.013274 139.0
[M+NH4]+ 257.054373 156.8
[M+K]+ 277.983708 142.4
[M+H-H2O]+ 222.017810 135.9
[M+HCOO]- 284.018751 159.8
[M+CH3COO]- 298.034401 185.0
[M+Na-2H]- 259.995216 146.8
[M]+ 239.02000142 134.6
[M]- 239.02109858 134.6
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