CID 494108

Nsc118797

Structural Information

Molecular Formula
C24H26O2P
SMILES
CC(CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C
InChI
InChI=1S/C24H26O2P/c1-20(26-21(2)25)18-19-27(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,20H,18-19H2,1-2H3/q+1
InChIKey
BLBLFDARDXQQFC-UHFFFAOYSA-N
Compound name
3-acetyloxybutyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.16705 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.17433 200.9
[M+Na]+ 400.15627 203.1
[M-H]- 376.15977 208.1
[M+NH4]+ 395.20087 211.5
[M+K]+ 416.13021 193.0
[M+H-H2O]+ 360.16431 191.1
[M+HCOO]- 422.16525 224.2
[M+CH3COO]- 436.18090 212.4
[M+Na-2H]- 398.14172 202.0
[M]+ 377.16650 200.2
[M]- 377.16760 200.2
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.