CID 44240692

1315508-93-0

Structural Information

Molecular Formula
C11H12ClFO2
SMILES
C1CC2=C(C=CC(=C2)F)O[C@@H]1[C@H](CCl)O
InChI
InChI=1S/C11H12ClFO2/c12-6-9(14)11-3-1-7-5-8(13)2-4-10(7)15-11/h2,4-5,9,11,14H,1,3,6H2/t9-,11-/m0/s1
InChIKey
CJWPZPOGTNMOCI-ONGXEEELSA-N
Compound name
(1R)-2-chloro-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

230.05098 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.05826 145.7
[M+Na]+ 253.04020 153.7
[M-H]- 229.04370 147.9
[M+NH4]+ 248.08480 163.8
[M+K]+ 269.01414 150.2
[M+H-H2O]+ 213.04824 140.1
[M+HCOO]- 275.04918 158.0
[M+CH3COO]- 289.06483 186.5
[M+Na-2H]- 251.02565 150.9
[M]+ 230.05043 145.1
[M]- 230.05153 145.1
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

patents stripe