CID 132989943

(2-hydroxy-5-methylphenyl)triphenylphosphonium bromide

Structural Information

Molecular Formula
C25H22OP
SMILES
CC1=CC(=C(C=C1)O)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H21OP/c1-20-17-18-24(26)25(19-20)27(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-19H,1H3/p+1
InChIKey
VIDNFMZUCZDDOI-UHFFFAOYSA-O
Compound name
(2-hydroxy-5-methylphenyl)-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

369.14084 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.14812 198.1
[M+Na]+ 392.13006 202.7
[M-H]- 368.13356 207.7
[M+NH4]+ 387.17466 208.4
[M+K]+ 408.10400 190.2
[M+H-H2O]+ 352.13810 187.8
[M+HCOO]- 414.13904 222.0
[M+CH3COO]- 428.15469 209.7
[M+Na-2H]- 390.11551 201.0
[M]+ 369.14029 194.4
[M]- 369.14139 194.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe