CID 3090158

((4-chloro-benzoylamino)-methyl)-triphenyl-phosphonium, chloride

Structural Information

Molecular Formula
C26H22ClNOP
SMILES
C1=CC=C(C=C1)[P+](CNC(=O)C2=CC=C(C=C2)Cl)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H21ClNOP/c27-22-18-16-21(17-19-22)26(29)28-20-30(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-19H,20H2/p+1
InChIKey
QNXAYNCDGNNKPV-UHFFFAOYSA-O
Compound name
[(4-chlorobenzoyl)amino]methyl-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

430.11276 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.12004 209.6
[M+Na]+ 453.10198 213.0
[M-H]- 429.10548 219.5
[M+NH4]+ 448.14658 218.1
[M+K]+ 469.07592 199.6
[M+H-H2O]+ 413.11002 198.9
[M+HCOO]- 475.11096 230.3
[M+CH3COO]- 489.12661 221.2
[M+Na-2H]- 451.08743 212.2
[M]+ 430.11221 208.2
[M]- 430.11331 208.2
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

patents stripe