CID 238424

559-91-1

Structural Information

Molecular Formula
C10H5F7O
SMILES
C1=CC=C(C=C1)C(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H5F7O/c11-8(12,9(13,14)10(15,16)17)7(18)6-4-2-1-3-5-6/h1-5H
InChIKey
UKYZDGAVBNKBPQ-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-1-phenylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

190
Patents

274.02286 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.03014 149.5
[M+Na]+ 297.01208 158.3
[M-H]- 273.01558 144.4
[M+NH4]+ 292.05668 165.2
[M+K]+ 312.98602 154.8
[M+H-H2O]+ 257.02012 138.7
[M+HCOO]- 319.02106 160.8
[M+CH3COO]- 333.03671 196.9
[M+Na-2H]- 294.99753 154.1
[M]+ 274.02231 139.3
[M]- 274.02341 139.3
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