CID 362080

Nsc625603

Structural Information

Molecular Formula
C26H14F6O2
SMILES
C1=CC=C2C(=C1)C=CC3=C2C(=O)OC3(C4=CC(=CC=C4)C(F)(F)F)C5=CC(=CC=C5)C(F)(F)F
InChI
InChI=1S/C26H14F6O2/c27-25(28,29)18-8-3-6-16(13-18)24(17-7-4-9-19(14-17)26(30,31)32)21-12-11-15-5-1-2-10-20(15)22(21)23(33)34-24/h1-14H
InChIKey
IPRQZDVKHKUAHL-UHFFFAOYSA-N
Compound name
3,3-bis[3-(trifluoromethyl)phenyl]benzo[g][2]benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.0898 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.09708 213.1
[M+Na]+ 495.07902 224.7
[M-H]- 471.08252 218.4
[M+NH4]+ 490.12362 225.3
[M+K]+ 511.05296 217.0
[M+H-H2O]+ 455.08706 199.1
[M+HCOO]- 517.08800 223.0
[M+CH3COO]- 531.10365 221.2
[M+Na-2H]- 493.06447 214.6
[M]+ 472.08925 207.8
[M]- 472.09035 207.8
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.