CID 130036083

5-fluoro-1-methyl-2,3-dihydro-1h-indene-1-carbaldehyde

Structural Information

Molecular Formula
C11H11FO
SMILES
CC1(CCC2=C1C=CC(=C2)F)C=O
InChI
InChI=1S/C11H11FO/c1-11(7-13)5-4-8-6-9(12)2-3-10(8)11/h2-3,6-7H,4-5H2,1H3
InChIKey
GGCLTLCBBUTFOK-UHFFFAOYSA-N
Compound name
5-fluoro-1-methyl-2,3-dihydroindene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.07939 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08667 134.8
[M+Na]+ 201.06861 145.0
[M-H]- 177.07211 138.7
[M+NH4]+ 196.11321 160.2
[M+K]+ 217.04255 141.6
[M+H-H2O]+ 161.07665 129.5
[M+HCOO]- 223.07759 157.4
[M+CH3COO]- 237.09324 180.7
[M+Na-2H]- 199.05406 140.8
[M]+ 178.07884 134.2
[M]- 178.07994 134.2
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

No patent data available for this compound.