CID 494107

4-(triphenylphosphoranyl)-2-butanol

Structural Information

Molecular Formula
C22H24OP
SMILES
CC(CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)O
InChI
InChI=1S/C22H24OP/c1-19(23)17-18-24(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,23H,17-18H2,1H3/q+1
InChIKey
UITKRMXPRHAWLU-UHFFFAOYSA-N
Compound name
3-hydroxybutyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.15646 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.16374 189.4
[M+Na]+ 358.14568 192.3
[M-H]- 334.14918 195.6
[M+NH4]+ 353.19028 201.3
[M+K]+ 374.11962 181.1
[M+H-H2O]+ 318.15372 180.5
[M+HCOO]- 380.15466 212.7
[M+CH3COO]- 394.17031 203.0
[M+Na-2H]- 356.13113 192.2
[M]+ 335.15591 186.4
[M]- 335.15701 186.4
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.