CID 3090342

55630-07-4

Structural Information

Molecular Formula
C27H21Cl2NOP
SMILES
C1=CC=C(C=C1)C(=O)NC(=C(Cl)Cl)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H20Cl2NOP/c28-25(29)27(30-26(31)21-13-5-1-6-14-21)32(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H/p+1
InChIKey
RJLFYCTXRJQJLC-UHFFFAOYSA-O
Compound name
(1-benzamido-2,2-dichloroethenyl)-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

476.0738 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.08108 215.3
[M+Na]+ 499.06302 217.6
[M-H]- 475.06652 224.2
[M+NH4]+ 494.10762 222.2
[M+K]+ 515.03696 203.8
[M+H-H2O]+ 459.07106 205.5
[M+HCOO]- 521.07200 229.1
[M+CH3COO]- 535.08765 226.5
[M+Na-2H]- 497.04847 215.7
[M]+ 476.07325 214.2
[M]- 476.07435 214.2
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

No patent data available for this compound.