CID 3634575

86521-52-0

Structural Information

Molecular Formula
C28H23Cl2NOP
SMILES
CC1=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/C28H22Cl2NOP/c1-21-17-19-22(20-18-21)27(32)31-28(26(29)30)33(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-20H,1H3/p+1
InChIKey
YSCMBWANTMOVIW-UHFFFAOYSA-O
Compound name
[2,2-dichloro-1-[(4-methylbenzoyl)amino]ethenyl]-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

490.08942 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.09670 219.8
[M+Na]+ 513.07864 222.6
[M-H]- 489.08214 228.9
[M+NH4]+ 508.12324 226.5
[M+K]+ 529.05258 208.7
[M+H-H2O]+ 473.08668 209.9
[M+HCOO]- 535.08762 233.3
[M+CH3COO]- 549.10327 230.4
[M+Na-2H]- 511.06409 219.0
[M]+ 490.08887 219.4
[M]- 490.08997 219.4
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

No patent data available for this compound.