CID 502240

(2r,3s,5r)-5-(4-chloro-2-fluoro-5-methyl-phenyl)-2-(hydroxymethyl)tetrahydrofuran-3-ol

Structural Information

Molecular Formula
C12H14ClFO3
SMILES
CC1=CC(=C(C=C1Cl)F)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C12H14ClFO3/c1-6-2-7(9(14)3-8(6)13)11-4-10(16)12(5-15)17-11/h2-3,10-12,15-16H,4-5H2,1H3/t10-,11+,12+/m0/s1
InChIKey
QXNPQSAIUQSHOI-QJPTWQEYSA-N
Compound name
(2R,3S,5R)-5-(4-chloro-2-fluoro-5-methylphenyl)-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

260.06155 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.06883 154.5
[M+Na]+ 283.05077 164.4
[M-H]- 259.05427 158.6
[M+NH4]+ 278.09537 172.1
[M+K]+ 299.02471 160.0
[M+H-H2O]+ 243.05881 149.4
[M+HCOO]- 305.05975 168.4
[M+CH3COO]- 319.07540 190.1
[M+Na-2H]- 281.03622 154.8
[M]+ 260.06100 155.0
[M]- 260.06210 155.0
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

No patent data available for this compound.