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]+ 349.14345 178.9
[M+Na]+ 371.12539 188.6
[M-H]- 347.12889 191.0
[M+NH4]+ 366.16999 192.4
[M+K]+ 387.09933 186.5
[M+H-H2O]+ 331.13343 173.3
[M+HCOO]- 393.13437 197.5
[M+CH3COO]- 407.15002 214.0
[M+Na-2H]- 369.11084 181.4
[M]+ 348.13562 185.1
[M]- 348.13672 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.