CID 500004

3020-30-2

Structural Information

Molecular Formula
C21H22OP
SMILES
CC(C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)O
InChI
InChI=1S/C21H22OP/c1-18(22)17-23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18,22H,17H2,1H3/q+1
InChIKey
GWIVKYPOQRMFCN-UHFFFAOYSA-N
Compound name
2-hydroxypropyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.14084 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.14812 184.6
[M+Na]+ 344.13006 187.9
[M-H]- 320.13356 191.0
[M+NH4]+ 339.17466 197.1
[M+K]+ 360.10400 177.0
[M+H-H2O]+ 304.13810 176.0
[M+HCOO]- 366.13904 208.2
[M+CH3COO]- 380.15469 200.0
[M+Na-2H]- 342.11551 188.0
[M]+ 321.14029 181.3
[M]- 321.14139 181.3
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