CID 16755387

943126-72-5

Structural Information

Molecular Formula
C11H10ClFO2
SMILES
C1CC2=C(C=CC(=C2)F)OC1C(=O)CCl
InChI
InChI=1S/C11H10ClFO2/c12-6-9(14)11-3-1-7-5-8(13)2-4-10(7)15-11/h2,4-5,11H,1,3,6H2
InChIKey
JOIVVMUMDLHKRF-UHFFFAOYSA-N
Compound name
2-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

228.03534 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.04262 144.2
[M+Na]+ 251.02456 152.9
[M-H]- 227.02806 147.8
[M+NH4]+ 246.06916 163.0
[M+K]+ 266.99850 149.7
[M+H-H2O]+ 211.03260 138.3
[M+HCOO]- 273.03354 158.2
[M+CH3COO]- 287.04919 188.3
[M+Na-2H]- 249.01001 149.8
[M]+ 228.03479 144.7
[M]- 228.03589 144.7
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.