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]+ 223.112876 147.2
[M+Na]+ 245.094818 154.9
[M-H]- 221.098324 151.7
[M+NH4]+ 240.139423 168.8
[M+K]+ 261.068758 151.8
[M+H-H2O]+ 205.102860 141.0
[M+HCOO]- 267.103801 163.7
[M+CH3COO]- 281.119451 159.5
[M+Na-2H]- 243.080266 152.2
[M]+ 222.10505142 142.1
[M]- 222.10614858 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.