CID 3017221

Einecs 262-582-4

Structural Information

Molecular Formula
C21H19ClO2P
SMILES
C1=CC=C(C=C1)[P+](CCOC(=O)Cl)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H19ClO2P/c22-21(23)24-16-17-25(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2/q+1
InChIKey
DJPLGLGNPSNZFI-UHFFFAOYSA-N
Compound name
2-carbonochloridoyloxyethyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

369.08112 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.08840 192.5
[M+Na]+ 392.07034 197.2
[M-H]- 368.07384 200.1
[M+NH4]+ 387.11494 204.5
[M+K]+ 408.04428 185.6
[M+H-H2O]+ 352.07838 183.8
[M+HCOO]- 414.07932 213.4
[M+CH3COO]- 428.09497 206.5
[M+Na-2H]- 390.05579 196.0
[M]+ 369.08057 194.0
[M]- 369.08167 194.0
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

patents stripe