CID 2777297

1-nitro-3-(trifluoromethoxy)benzene

Structural Information

Molecular Formula
C7H4F3NO3
SMILES
C1=CC(=CC(=C1)OC(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C7H4F3NO3/c8-7(9,10)14-6-3-1-2-5(4-6)11(12)13/h1-4H
InChIKey
QBWJNDOQIAARBT-UHFFFAOYSA-N
Compound name
1-nitro-3-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

207.01433 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.02161 133.6
[M+Na]+ 230.00355 142.3
[M-H]- 206.00705 134.0
[M+NH4]+ 225.04815 151.8
[M+K]+ 245.97749 136.8
[M+H-H2O]+ 190.01159 130.4
[M+HCOO]- 252.01253 155.6
[M+CH3COO]- 266.02818 177.6
[M+Na-2H]- 227.98900 142.4
[M]+ 207.01378 129.5
[M]- 207.01488 129.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe