CID 207244

1-(2-propynyloxy)-3-(2,3,4-trichlorophenoxy)-2-propanol carbamate

Structural Information

Molecular Formula
C13H12Cl3NO4
SMILES
C#CCOCC(COC1=C(C(=C(C=C1)Cl)Cl)Cl)OC(=O)N
InChI
InChI=1S/C13H12Cl3NO4/c1-2-5-19-6-8(21-13(17)18)7-20-10-4-3-9(14)11(15)12(10)16/h1,3-4,8H,5-7H2,(H2,17,18)
InChIKey
GAJWGQDKMZNEKK-UHFFFAOYSA-N
Compound name
[1-prop-2-ynoxy-3-(2,3,4-trichlorophenoxy)propan-2-yl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.9832 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.99048 167.7
[M+Na]+ 373.97242 178.9
[M-H]- 349.97592 168.5
[M+NH4]+ 369.01702 180.7
[M+K]+ 389.94636 172.5
[M+H-H2O]+ 333.98046 158.8
[M+HCOO]- 395.98140 172.0
[M+CH3COO]- 409.99705 215.6
[M+Na-2H]- 371.95787 166.7
[M]+ 350.98265 169.0
[M]- 350.98375 169.0
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

No patent data available for this compound.