CID 6303318

2-butenyltriphenylphosphonium chloride

Structural Information

Molecular Formula
C22H22P
SMILES
C/C=C/C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H22P/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/h2-18H,19H2,1H3/q+1/b3-2+
InChIKey
BMCPTAFSDADFNW-NSCUHMNNSA-N
Compound name
[(E)-but-2-enyl]-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

317.1459 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.15318 185.4
[M+Na]+ 340.13512 189.6
[M-H]- 316.13862 192.9
[M+NH4]+ 335.17972 198.9
[M+K]+ 356.10906 177.5
[M+H-H2O]+ 300.14316 176.3
[M+HCOO]- 362.14410 211.1
[M+CH3COO]- 376.15975 201.5
[M+Na-2H]- 338.12057 189.5
[M]+ 317.14535 182.7
[M]- 317.14645 182.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe