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

17
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

patents stripe