CID 57916

100482-56-2

Structural Information

Molecular Formula
C19H10F6O
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(=O)C=C(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C19H10F6O/c20-18(21,22)16(19(23,24)25)10-15(26)17-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)17/h1-10H
InChIKey
PYROREKRSROOQY-UHFFFAOYSA-N
Compound name
1-anthracen-9-yl-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.0636 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.07088 179.3
[M+Na]+ 391.05282 185.9
[M+NH4]+ 386.09742 181.9
[M+K]+ 407.02676 180.8
[M-H]- 367.05632 173.8
[M+Na-2H]- 389.03827 181.0
[M]+ 368.06305 178.4
[M]- 368.06415 178.4
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.