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]+ 209.09723 143.9
[M+Na]+ 231.07917 152.3
[M-H]- 207.08267 147.3
[M+NH4]+ 226.12377 166.0
[M+K]+ 247.05311 149.7
[M+H-H2O]+ 191.08721 137.8
[M+HCOO]- 253.08815 165.3
[M+CH3COO]- 267.10380 186.4
[M+Na-2H]- 229.06462 147.1
[M]+ 208.08940 144.1
[M]- 208.09050 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.