CID 362069

Nsc625592

Structural Information

Molecular Formula
C19H11F3O2
SMILES
C1=CC=C2C(=C1)C=CC3=C2C(=O)OC3C4=CC(=CC=C4)C(F)(F)F
InChI
InChI=1S/C19H11F3O2/c20-19(21,22)13-6-3-5-12(10-13)17-15-9-8-11-4-1-2-7-14(11)16(15)18(23)24-17/h1-10,17H
InChIKey
VCUNDCKCTUJNHO-UHFFFAOYSA-N
Compound name
3-[3-(trifluoromethyl)phenyl]-3H-benzo[g][2]benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.0711 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.07838 172.7
[M+Na]+ 351.06032 183.6
[M-H]- 327.06382 178.7
[M+NH4]+ 346.10492 189.4
[M+K]+ 367.03426 178.1
[M+H-H2O]+ 311.06836 163.3
[M+HCOO]- 373.06930 189.0
[M+CH3COO]- 387.08495 184.3
[M+Na-2H]- 349.04577 176.9
[M]+ 328.07055 170.9
[M]- 328.07165 170.9
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.