CID 4655290

2-butynyltriphenylphosphonium bromide

Structural Information

Molecular Formula
C22H20P
SMILES
CC#CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H20P/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,19H2,1H3/q+1
InChIKey
HIAVJJIQWLLCOL-UHFFFAOYSA-N
Compound name
but-2-ynyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

315.13025 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.13753 188.4
[M+Na]+ 338.11947 196.2
[M-H]- 314.12297 192.9
[M+NH4]+ 333.16407 200.2
[M+K]+ 354.09341 181.3
[M+H-H2O]+ 298.12751 173.9
[M+HCOO]- 360.12845 207.7
[M+CH3COO]- 374.14410 206.9
[M+Na-2H]- 336.10492 190.8
[M]+ 315.12970 180.4
[M]- 315.13080 180.4
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