CID 498148

Nsc245391

Structural Information

Molecular Formula
C24H26P
SMILES
CC1CC[P+](CC2=C1C=CC(=C2)C)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H26P/c1-19-13-14-24-20(2)15-16-25(18-21(24)17-19,22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-14,17,20H,15-16,18H2,1-2H3/q+1
InChIKey
NNEHOMAUQJVMQH-UHFFFAOYSA-N
Compound name
5,8-dimethyl-2,2-diphenyl-1,3,4,5-tetrahydro-2-benzophosphepin-2-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.17722 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.18450 194.3
[M+Na]+ 368.16644 198.8
[M-H]- 344.16994 203.9
[M+NH4]+ 363.21104 209.1
[M+K]+ 384.14038 190.9
[M+H-H2O]+ 328.17448 186.8
[M+HCOO]- 390.17542 216.7
[M+CH3COO]- 404.19107 209.8
[M+Na-2H]- 366.15189 195.3
[M]+ 345.17667 187.9
[M]- 345.17777 187.9
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.