CID 2759380

Isopentyltriphenylphosphonium bromide

Structural Information

Molecular Formula
C23H26P
SMILES
CC(C)CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H26P/c1-20(2)18-19-24(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,20H,18-19H2,1-2H3/q+1
InChIKey
QKMNVQGPFDVZTK-UHFFFAOYSA-N
Compound name
3-methylbutyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

294
Patents

333.17722 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.18450 190.6
[M+Na]+ 356.16644 193.6
[M-H]- 332.16994 197.9
[M+NH4]+ 351.21104 203.4
[M+K]+ 372.14038 182.5
[M+H-H2O]+ 316.17448 181.4
[M+HCOO]- 378.17542 214.8
[M+CH3COO]- 392.19107 206.7
[M+Na-2H]- 354.15189 193.1
[M]+ 333.17667 188.5
[M]- 333.17777 188.5
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

patents stripe