CID 500015

Sec-butyltriphenylphosphonium bromide

Structural Information

Molecular Formula
C22H24P
SMILES
CCC(C)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H24P/c1-3-19(2)23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19H,3H2,1-2H3/q+1
InChIKey
SGNAKWKXKBREOU-UHFFFAOYSA-N
Compound name
butan-2-yl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

319.16156 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.16884 185.8
[M+Na]+ 342.15078 189.2
[M-H]- 318.15428 193.3
[M+NH4]+ 337.19538 199.1
[M+K]+ 358.12472 178.3
[M+H-H2O]+ 302.15882 176.8
[M+HCOO]- 364.15976 210.3
[M+CH3COO]- 378.17541 203.8
[M+Na-2H]- 340.13623 188.8
[M]+ 319.16101 183.3
[M]- 319.16211 183.3
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