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

literature stripe

Patent stripe

patents stripe