CID 2782583

168920-97-6

Structural Information

Molecular Formula
C13H7F9O2
SMILES
C1=CC=C(C=C1)C(=O)CC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H7F9O2/c14-10(15,11(16,17)12(18,19)13(20,21)22)9(24)6-8(23)7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
MYWBHGPUNSBHHA-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,7-nonafluoro-1-phenylheptane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

366.03024 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.03752 169.5
[M+Na]+ 389.01946 177.5
[M-H]- 365.02296 161.8
[M+NH4]+ 384.06406 181.0
[M+K]+ 404.99340 173.6
[M+H-H2O]+ 349.02750 156.9
[M+HCOO]- 411.02844 175.6
[M+CH3COO]- 425.04409 213.7
[M+Na-2H]- 387.00491 171.6
[M]+ 366.02969 157.0
[M]- 366.03079 157.0
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

patents stripe