CID 154881561

Ethyl 5-fluoro-2,3-dihydro-1h-indene-2-carboxylate

Structural Information

Molecular Formula
C12H13FO2
SMILES
CCOC(=O)C1CC2=C(C1)C=C(C=C2)F
InChI
InChI=1S/C12H13FO2/c1-2-15-12(14)10-5-8-3-4-11(13)7-9(8)6-10/h3-4,7,10H,2,5-6H2,1H3
InChIKey
JOFPGKPZJXJHTD-UHFFFAOYSA-N
Compound name
ethyl 5-fluoro-2,3-dihydro-1H-indene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.08995 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.097226 143.9
[M+Na]+ 231.079168 152.3
[M-H]- 207.082674 147.3
[M+NH4]+ 226.123773 166.0
[M+K]+ 247.053108 149.7
[M+H-H2O]+ 191.087210 137.8
[M+HCOO]- 253.088151 165.3
[M+CH3COO]- 267.103801 186.4
[M+Na-2H]- 229.064616 147.1
[M]+ 208.08940142 144.1
[M]- 208.09049858 144.1
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.