CID 6332893

Nsc154542

Structural Information

Molecular Formula
C22H21ClP
SMILES
C1=CC=C(C=C1)[P+](C/C=C/CCl)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H21ClP/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/h1-17H,18-19H2/q+1/b11-10+
InChIKey
ZFYGUZXHCMEQLC-ZHACJKMWSA-N
Compound name
[(E)-4-chlorobut-2-enyl]-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.10693 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.11421 191.7
[M+Na]+ 374.09615 196.7
[M-H]- 350.09965 198.8
[M+NH4]+ 369.14075 204.7
[M+K]+ 390.07009 182.9
[M+H-H2O]+ 334.10419 183.0
[M+HCOO]- 396.10513 212.8
[M+CH3COO]- 410.12078 205.1
[M+Na-2H]- 372.08160 195.3
[M]+ 351.10638 191.5
[M]- 351.10748 191.5
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

No patent data available for this compound.