CID 2775271

1996-69-6

Structural Information

Molecular Formula
C14H10F3NO4
SMILES
COC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C14H10F3NO4/c1-21-10-3-5-11(6-4-10)22-13-7-2-9(14(15,16)17)8-12(13)18(19)20/h2-8H,1H3
InChIKey
WJNPONNEXMSLPF-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenoxy)-2-nitro-4-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.05618 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.06346 164.0
[M+Na]+ 336.04540 172.2
[M-H]- 312.04890 167.4
[M+NH4]+ 331.09000 177.7
[M+K]+ 352.01934 165.0
[M+H-H2O]+ 296.05344 158.5
[M+HCOO]- 358.05438 185.0
[M+CH3COO]- 372.07003 198.8
[M+Na-2H]- 334.03085 170.4
[M]+ 313.05563 161.9
[M]- 313.05673 161.9
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

No patent data available for this compound.