CID 55265304

151697-01-7

Structural Information

Molecular Formula
C11H11FO
SMILES
CC1(CC2=C(C1=O)C=CC(=C2)F)C
InChI
InChI=1S/C11H11FO/c1-11(2)6-7-5-8(12)3-4-9(7)10(11)13/h3-5H,6H2,1-2H3
InChIKey
YLZKDXQYVAKNNL-UHFFFAOYSA-N
Compound name
5-fluoro-2,2-dimethyl-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

178.07939 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08667 133.6
[M+Na]+ 201.06861 144.8
[M-H]- 177.07211 137.9
[M+NH4]+ 196.11321 159.4
[M+K]+ 217.04255 141.4
[M+H-H2O]+ 161.07665 128.7
[M+HCOO]- 223.07759 156.2
[M+CH3COO]- 237.09324 181.9
[M+Na-2H]- 199.05406 139.2
[M]+ 178.07884 133.5
[M]- 178.07994 133.5
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