CID 6187346

31675-30-6

Structural Information

Molecular Formula
C22H20OP
SMILES
C1=CC=C(C=C1)[P+](C/C=C/C=O)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H20OP/c23-18-10-11-19-24(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-18H,19H2/q+1/b11-10+
InChIKey
LLKLKUYZOPFJPE-ZHACJKMWSA-N
Compound name
[(E)-4-oxobut-2-enyl]-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.12518 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.13246 188.0
[M+Na]+ 354.11440 192.3
[M-H]- 330.11790 195.5
[M+NH4]+ 349.15900 200.7
[M+K]+ 370.08834 180.2
[M+H-H2O]+ 314.12244 178.7
[M+HCOO]- 376.12338 214.0
[M+CH3COO]- 390.13903 202.4
[M+Na-2H]- 352.09985 192.2
[M]+ 331.12463 185.9
[M]- 331.12573 185.9
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.