CID 156310

Ebf 5

Structural Information

Molecular Formula
C20H23Cl2N2O3P
SMILES
C1=CC=C(C=C1)CC2=NC3=CC=CC=C3N2CCP(=O)(OCCCl)OCCCl
InChI
InChI=1S/C20H23Cl2N2O3P/c21-10-13-26-28(25,27-14-11-22)15-12-24-19-9-5-4-8-18(19)23-20(24)16-17-6-2-1-3-7-17/h1-9H,10-16H2
InChIKey
UTHUEGPMLNWLBE-UHFFFAOYSA-N
Compound name
2-benzyl-1-[2-[bis(2-chloroethoxy)phosphoryl]ethyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.08234 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.08962 202.1
[M+Na]+ 463.07156 210.4
[M-H]- 439.07506 205.0
[M+NH4]+ 458.11616 213.2
[M+K]+ 479.04550 203.4
[M+H-H2O]+ 423.07960 190.3
[M+HCOO]- 485.08054 217.5
[M+CH3COO]- 499.09619 224.7
[M+Na-2H]- 461.05701 202.4
[M]+ 440.08179 212.5
[M]- 440.08289 212.5
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.