CID 3040650

Brn 1398622

Structural Information

Molecular Formula
C22H20O4
SMILES
CC12C(C(=C)C(=O)C1(O2)C)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H20O4/c1-14-17(21(2)22(3,26-21)19(14)23)20(24)25-18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17-18H,1H2,2-3H3
InChIKey
GLYFENLAHGNFFV-UHFFFAOYSA-N
Compound name
benzhydryl 1,5-dimethyl-3-methylidene-4-oxo-6-oxabicyclo[3.1.0]hexane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.13617 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.143446 178.9
[M+Na]+ 371.125388 188.6
[M-H]- 347.128894 191.0
[M+NH4]+ 366.169993 192.4
[M+K]+ 387.099328 186.5
[M+H-H2O]+ 331.133430 173.3
[M+HCOO]- 393.134371 197.5
[M+CH3COO]- 407.150021 214.0
[M+Na-2H]- 369.110836 181.4
[M]+ 348.13562142 185.1
[M]- 348.13671858 185.1
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.