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 180.4
[M+Na]+ 391.05282 190.5
[M-H]- 367.05632 178.3
[M+NH4]+ 386.09742 194.6
[M+K]+ 407.02676 183.0
[M+H-H2O]+ 351.06086 168.4
[M+HCOO]- 413.06180 191.3
[M+CH3COO]- 427.07745 215.8
[M+Na-2H]- 389.03827 184.3
[M]+ 368.06305 174.0
[M]- 368.06415 174.0
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.