CID 2272940

7438-81-5

Structural Information

Molecular Formula
C22H15NO4
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)C3(C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]
InChI
InChI=1S/C22H15NO4/c24-20-17-13-7-8-14-18(17)21(25)22(20,23(26)27)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19H
InChIKey
ZCXISFVVBPJGCV-UHFFFAOYSA-N
Compound name
2-benzhydryl-2-nitroindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.1001 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.10738 185.0
[M+Na]+ 380.08932 190.9
[M-H]- 356.09282 195.7
[M+NH4]+ 375.13392 200.3
[M+K]+ 396.06326 181.7
[M+H-H2O]+ 340.09736 180.5
[M+HCOO]- 402.09830 207.3
[M+CH3COO]- 416.11395 207.5
[M+Na-2H]- 378.07477 189.4
[M]+ 357.09955 183.0
[M]- 357.10065 183.0
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.