CID 16635

K 171

Structural Information

Molecular Formula
C12H15ClO3
SMILES
CCC1(OCC(O1)CO)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H15ClO3/c1-2-12(15-8-11(7-14)16-12)9-3-5-10(13)6-4-9/h3-6,11,14H,2,7-8H2,1H3
InChIKey
LYCOEWNNZGGXRP-UHFFFAOYSA-N
Compound name
[2-(4-chlorophenyl)-2-ethyl-1,3-dioxolan-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.07097 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07825 150.1
[M+Na]+ 265.06019 163.1
[M+NH4]+ 260.10479 160.1
[M+K]+ 281.03413 156.9
[M-H]- 241.06369 155.6
[M+Na-2H]- 263.04564 157.0
[M]+ 242.07042 154.0
[M]- 242.07152 154.0
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.