CID 99182

21840-68-6

Structural Information

Molecular Formula
C18H14Cl2N2O4
SMILES
C1=CC(=CC=C1NC(=O)OCC#CCOC(=O)NC2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C18H14Cl2N2O4/c19-13-3-7-15(8-4-13)21-17(23)25-11-1-2-12-26-18(24)22-16-9-5-14(20)6-10-16/h3-10H,11-12H2,(H,21,23)(H,22,24)
InChIKey
AUTSISAOODLEAN-UHFFFAOYSA-N
Compound name
4-[(4-chlorophenyl)carbamoyloxy]but-2-ynyl N-(4-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.03305 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.04033 185.6
[M+Na]+ 415.02227 197.5
[M+NH4]+ 410.06687 188.4
[M+K]+ 430.99621 187.2
[M-H]- 391.02577 180.9
[M+Na-2H]- 413.00772 189.0
[M]+ 392.03250 185.5
[M]- 392.03360 185.5
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.