CID 4147604

Ethyl n-(3,4-dichlorophenyl)-n-hydroxycarbamate

Structural Information

Molecular Formula
C9H9Cl2NO3
SMILES
CCOC(=O)N(C1=CC(=C(C=C1)Cl)Cl)O
InChI
InChI=1S/C9H9Cl2NO3/c1-2-15-9(13)12(14)6-3-4-7(10)8(11)5-6/h3-5,14H,2H2,1H3
InChIKey
NXVMMOYBUDQWSG-UHFFFAOYSA-N
Compound name
ethyl N-(3,4-dichlorophenyl)-N-hydroxycarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.99594 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.00322 146.9
[M+Na]+ 271.98516 156.3
[M-H]- 247.98866 150.6
[M+NH4]+ 267.02976 165.6
[M+K]+ 287.95910 152.8
[M+H-H2O]+ 231.99320 143.0
[M+HCOO]- 293.99414 162.0
[M+CH3COO]- 308.00979 192.5
[M+Na-2H]- 269.97061 150.5
[M]+ 248.99539 152.3
[M]- 248.99649 152.3
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.