CID 42633508

1160247-92-6

Structural Information

Molecular Formula
C17H12F3NO4
SMILES
COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)OC(F)(F)F)C(=O)C2=O
InChI
InChI=1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(25-17(18,19)20)8-13(14)15(22)16(21)23/h2-8H,9H2,1H3
InChIKey
CKLGZXFOLMHCMC-UHFFFAOYSA-N
Compound name
1-[(4-methoxyphenyl)methyl]-5-(trifluoromethoxy)indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

351.07184 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.07912 176.5
[M+Na]+ 374.06106 187.3
[M-H]- 350.06456 179.8
[M+NH4]+ 369.10566 191.3
[M+K]+ 390.03500 182.6
[M+H-H2O]+ 334.06910 166.5
[M+HCOO]- 396.07004 193.8
[M+CH3COO]- 410.08569 211.9
[M+Na-2H]- 372.04651 178.2
[M]+ 351.07129 177.6
[M]- 351.07239 177.6
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

patents stripe