CID 55297155

1273595-77-9

Structural Information

Molecular Formula
C10H9FO
SMILES
CC1=C(C2=C(C=C1)C(=O)CC2)F
InChI
InChI=1S/C10H9FO/c1-6-2-3-7-8(10(6)11)4-5-9(7)12/h2-3H,4-5H2,1H3
InChIKey
DTMFFJVAEGTLHX-UHFFFAOYSA-N
Compound name
4-fluoro-5-methyl-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.06374 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.07102 129.7
[M+Na]+ 187.05296 140.3
[M-H]- 163.05646 133.8
[M+NH4]+ 182.09756 154.0
[M+K]+ 203.02690 137.2
[M+H-H2O]+ 147.06100 124.4
[M+HCOO]- 209.06194 152.6
[M+CH3COO]- 223.07759 179.3
[M+Na-2H]- 185.03841 134.6
[M]+ 164.06319 128.9
[M]- 164.06429 128.9
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.