CID 213376

26309-83-1

Structural Information

Molecular Formula
C14H15Cl2NO4
SMILES
C#CCOCC(COCC1=C(C=C(C=C1)Cl)Cl)OC(=O)N
InChI
InChI=1S/C14H15Cl2NO4/c1-2-5-19-8-12(21-14(17)18)9-20-7-10-3-4-11(15)6-13(10)16/h1,3-4,6,12H,5,7-9H2,(H2,17,18)
InChIKey
DEQMWDZKPZXILG-UHFFFAOYSA-N
Compound name
[1-[(2,4-dichlorophenyl)methoxy]-3-prop-2-ynoxypropan-2-yl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.0378 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.04508 168.4
[M+Na]+ 354.02702 178.4
[M-H]- 330.03052 169.6
[M+NH4]+ 349.07162 181.7
[M+K]+ 370.00096 172.4
[M+H-H2O]+ 314.03506 157.9
[M+HCOO]- 376.03600 177.0
[M+CH3COO]- 390.05165 212.9
[M+Na-2H]- 352.01247 168.2
[M]+ 331.03725 169.4
[M]- 331.03835 169.4
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.