CID 243623

Benzoin ethylene ketal

Structural Information

Molecular Formula
C16H16O3
SMILES
C1COC(O1)(C2=CC=CC=C2)C(C3=CC=CC=C3)O
InChI
InChI=1S/C16H16O3/c17-15(13-7-3-1-4-8-13)16(18-11-12-19-16)14-9-5-2-6-10-14/h1-10,15,17H,11-12H2
InChIKey
HAEGULPLPHZWMP-UHFFFAOYSA-N
Compound name
phenyl-(2-phenyl-1,3-dioxolan-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

256.10995 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11723 157.8
[M+Na]+ 279.09917 163.2
[M-H]- 255.10267 167.2
[M+NH4]+ 274.14377 174.1
[M+K]+ 295.07311 162.3
[M+H-H2O]+ 239.10721 151.0
[M+HCOO]- 301.10815 177.2
[M+CH3COO]- 315.12380 169.8
[M+Na-2H]- 277.08462 163.4
[M]+ 256.10940 156.3
[M]- 256.11050 156.3
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

patents stripe