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 151.5
[M+Na]+ 265.06019 160.1
[M-H]- 241.06369 158.3
[M+NH4]+ 260.10479 170.5
[M+K]+ 281.03413 158.1
[M+H-H2O]+ 225.06823 147.2
[M+HCOO]- 287.06917 167.1
[M+CH3COO]- 301.08482 185.9
[M+Na-2H]- 263.04564 156.8
[M]+ 242.07042 154.6
[M]- 242.07152 154.6
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.