CID 3722665

(2,2-dichloro-1-methoxycarbonylamino-vinyl)-triphenyl-phosphonium, perchlorate

Structural Information

Molecular Formula
C22H19Cl2NO2P
SMILES
COC(=O)NC(=C(Cl)Cl)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H18Cl2NO2P/c1-27-22(26)25-21(20(23)24)28(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3/p+1
InChIKey
PMKZHWYZPGTCLU-UHFFFAOYSA-O
Compound name
[2,2-dichloro-1-(methoxycarbonylamino)ethenyl]-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

430.05304 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.06032 200.8
[M+Na]+ 453.04226 204.4
[M-H]- 429.04576 207.7
[M+NH4]+ 448.08686 210.5
[M+K]+ 469.01620 192.2
[M+H-H2O]+ 413.05030 193.0
[M+HCOO]- 475.05124 215.8
[M+CH3COO]- 489.06689 217.3
[M+Na-2H]- 451.02771 202.0
[M]+ 430.05249 202.0
[M]- 430.05359 202.0
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.