CID 3653680

3-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-4-methyl-6h-benzo[c]chromen-6-one

Structural Information

Molecular Formula
C21H11F3N2O7
SMILES
CC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)OC4=C(C=C(C=C4[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C21H11F3N2O7/c1-10-17(7-6-13-12-4-2-3-5-14(12)20(27)33-18(10)13)32-19-15(25(28)29)8-11(21(22,23)24)9-16(19)26(30)31/h2-9H,1H3
InChIKey
FXQHINYLEWSQFO-UHFFFAOYSA-N
Compound name
3-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-4-methylbenzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

460.05185 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.05913 189.4
[M+Na]+ 483.04107 203.2
[M+NH4]+ 478.08567 193.4
[M+K]+ 499.01501 202.4
[M-H]- 459.04457 192.6
[M+Na-2H]- 481.02652 194.1
[M]+ 460.05130 192.0
[M]- 460.05240 192.0
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

No patent data available for this compound.