CID 10398096

1,3,4-trifluoro-5-methoxy-2-nitrobenzene

Structural Information

Molecular Formula
C7H4F3NO3
SMILES
COC1=CC(=C(C(=C1F)F)[N+](=O)[O-])F
InChI
InChI=1S/C7H4F3NO3/c1-14-4-2-3(8)7(11(12)13)6(10)5(4)9/h2H,1H3
InChIKey
HFZXNTYAVZNVBH-UHFFFAOYSA-N
Compound name
1,3,4-trifluoro-5-methoxy-2-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

207.01433 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.02161 135.9
[M+Na]+ 230.00355 147.0
[M+NH4]+ 225.04815 141.6
[M+K]+ 245.97749 144.5
[M-H]- 206.00705 134.6
[M+Na-2H]- 227.98900 140.0
[M]+ 207.01378 136.7
[M]- 207.01488 136.7
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