CID 18614917

874649-82-8

Structural Information

Molecular Formula
C11H11FO3
SMILES
COC(=O)C1CCC2=C(O1)C=CC(=C2)F
InChI
InChI=1S/C11H11FO3/c1-14-11(13)10-4-2-7-6-8(12)3-5-9(7)15-10/h3,5-6,10H,2,4H2,1H3
InChIKey
QAYAXMIKHJVIJM-UHFFFAOYSA-N
Compound name
methyl 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

210.06923 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.07651 141.2
[M+Na]+ 233.05845 149.2
[M-H]- 209.06195 145.1
[M+NH4]+ 228.10305 160.0
[M+K]+ 249.03239 148.5
[M+H-H2O]+ 193.06649 134.4
[M+HCOO]- 255.06743 160.1
[M+CH3COO]- 269.08308 185.9
[M+Na-2H]- 231.04390 147.4
[M]+ 210.06868 141.0
[M]- 210.06978 141.0
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