CID 117101

71302-68-6

Structural Information

Molecular Formula
C17H10F3NO3
SMILES
CN(C1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O)C(=O)C(F)(F)F
InChI
InChI=1S/C17H10F3NO3/c1-21(16(24)17(18,19)20)12-8-4-7-11-13(12)15(23)10-6-3-2-5-9(10)14(11)22/h2-8H,1H3
InChIKey
SJQUFRFGQDVTQZ-UHFFFAOYSA-N
Compound name
N-(9,10-dioxoanthracen-1-yl)-2,2,2-trifluoro-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.06128 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.06856 170.3
[M+Na]+ 356.05050 179.8
[M-H]- 332.05400 173.5
[M+NH4]+ 351.09510 186.5
[M+K]+ 372.02444 175.9
[M+H-H2O]+ 316.05854 160.6
[M+HCOO]- 378.05948 187.0
[M+CH3COO]- 392.07513 215.7
[M+Na-2H]- 354.03595 174.5
[M]+ 333.06073 168.7
[M]- 333.06183 168.7
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.