CID 426148

Nsc180956

Structural Information

Molecular Formula
C22H22OP
SMILES
CC(C(=O)C)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H22OP/c1-18(23)19(2)24(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,19H,1-2H3/q+1
InChIKey
RIKDWAFQZYRUJP-UHFFFAOYSA-N
Compound name
3-oxobutan-2-yl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

333.14084 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.14812 187.4
[M+Na]+ 356.13006 190.7
[M-H]- 332.13356 195.0
[M+NH4]+ 351.17466 199.9
[M+K]+ 372.10400 180.4
[M+H-H2O]+ 316.13810 178.4
[M+HCOO]- 378.13904 211.3
[M+CH3COO]- 392.15469 205.3
[M+Na-2H]- 354.11551 189.6
[M]+ 333.14029 185.0
[M]- 333.14139 185.0
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