CID 104948132

1604253-29-3

Structural Information

Molecular Formula
C13H15FO2
SMILES
C1CCC2(C1)C[C@@H](C3=C(O2)C=CC(=C3)F)O
InChI
InChI=1S/C13H15FO2/c14-9-3-4-12-10(7-9)11(15)8-13(16-12)5-1-2-6-13/h3-4,7,11,15H,1-2,5-6,8H2/t11-/m0/s1
InChIKey
CQDHJWCLXIQJNV-NSHDSACASA-N
Compound name
(4S)-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.1056 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.11288 147.2
[M+Na]+ 245.09482 154.9
[M-H]- 221.09832 151.7
[M+NH4]+ 240.13942 168.8
[M+K]+ 261.06876 151.8
[M+H-H2O]+ 205.10286 141.0
[M+HCOO]- 267.10380 163.7
[M+CH3COO]- 281.11945 159.5
[M+Na-2H]- 243.08027 152.2
[M]+ 222.10505 142.1
[M]- 222.10615 142.1
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.