CID 3832298

763130-52-5

Structural Information

Molecular Formula
C17H9ClF3NO3
SMILES
C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)OC(F)(F)F
InChI
InChI=1S/C17H9ClF3NO3/c18-13-14(16(24)12-4-2-1-3-11(12)15(13)23)22-9-5-7-10(8-6-9)25-17(19,20)21/h1-8,22H
InChIKey
JHJDXLBYGGJKGS-UHFFFAOYSA-N
Compound name
2-chloro-3-[4-(trifluoromethoxy)anilino]naphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.0223 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.02958 177.6
[M+Na]+ 390.01152 188.8
[M-H]- 366.01502 181.9
[M+NH4]+ 385.05612 191.9
[M+K]+ 405.98546 182.0
[M+H-H2O]+ 350.01956 167.9
[M+HCOO]- 412.02050 191.8
[M+CH3COO]- 426.03615 216.0
[M+Na-2H]- 387.99697 181.7
[M]+ 367.02175 177.9
[M]- 367.02285 177.9
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.