CID 3089987

96010-64-9

Structural Information

Molecular Formula
C27H22Cl2N2OP
SMILES
C1=CC=C(C=C1)NC(=O)NC(=C(Cl)Cl)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H21Cl2N2OP/c28-25(29)26(31-27(32)30-21-13-5-1-6-14-21)33(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H,(H-,30,31,32)/p+1
InChIKey
BJKKOVULCBBGDT-UHFFFAOYSA-O
Compound name
[2,2-dichloro-1-(phenylcarbamoylamino)ethenyl]-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

491.0847 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.09198 217.2
[M+Na]+ 514.07392 218.6
[M-H]- 490.07742 225.9
[M+NH4]+ 509.11852 223.3
[M+K]+ 530.04786 205.1
[M+H-H2O]+ 474.08196 207.4
[M+HCOO]- 536.08290 232.1
[M+CH3COO]- 550.09855 230.6
[M+Na-2H]- 512.05937 218.4
[M]+ 491.08415 215.5
[M]- 491.08525 215.5
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.