CID 380785

Nsc666495

Structural Information

Molecular Formula
C25H20P
SMILES
C1=CC=C(C=C1)C[P+]2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=CC=C5
InChI
InChI=1S/C25H20P/c1-3-11-20(12-4-1)19-26(21-13-5-2-6-14-21)24-17-9-7-15-22(24)23-16-8-10-18-25(23)26/h1-18H,19H2/q+1
InChIKey
COJNNQRASYYYMG-UHFFFAOYSA-N
Compound name
5-benzyl-5-phenylbenzo[b]phosphindol-5-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.13025 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.13753 193.6
[M+Na]+ 374.11947 200.7
[M-H]- 350.12297 203.8
[M+NH4]+ 369.16407 211.2
[M+K]+ 390.09341 187.3
[M+H-H2O]+ 334.12751 183.3
[M+HCOO]- 396.12845 219.5
[M+CH3COO]- 410.14410 203.6
[M+Na-2H]- 372.10492 196.6
[M]+ 351.12970 191.8
[M]- 351.13080 191.8
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.