CID 3070522

Brn 5089759

Structural Information

Molecular Formula
C17H17FO3
SMILES
CC1=C(C2(CCCCC2)OC1=O)C(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C17H17FO3/c1-11-14(15(19)12-5-7-13(18)8-6-12)17(21-16(11)20)9-3-2-4-10-17/h5-8H,2-4,9-10H2,1H3
InChIKey
KSMBLVHLGIZQKK-UHFFFAOYSA-N
Compound name
4-(4-fluorobenzoyl)-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.11618 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.12346 164.6
[M+Na]+ 311.10540 172.0
[M-H]- 287.10890 172.8
[M+NH4]+ 306.15000 182.9
[M+K]+ 327.07934 169.1
[M+H-H2O]+ 271.11344 157.3
[M+HCOO]- 333.11438 182.5
[M+CH3COO]- 347.13003 199.6
[M+Na-2H]- 309.09085 165.6
[M]+ 288.11563 161.3
[M]- 288.11673 161.3
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.