CID 119359

119209-27-7

Structural Information

Molecular Formula
C12H11Cl2NO4
SMILES
CC(C=C)(C(=O)O)OC(=O)NC1=CC(=CC(=C1)Cl)Cl
InChI
InChI=1S/C12H11Cl2NO4/c1-3-12(2,10(16)17)19-11(18)15-9-5-7(13)4-8(14)6-9/h3-6H,1H2,2H3,(H,15,18)(H,16,17)
InChIKey
KTXGWKXVQGCPAR-UHFFFAOYSA-N
Compound name
2-[(3,5-dichlorophenyl)carbamoyloxy]-2-methylbut-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

11
References

0
Patents

303.0065 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.01378 160.8
[M+Na]+ 325.99572 169.3
[M-H]- 301.99922 163.2
[M+NH4]+ 321.04032 176.5
[M+K]+ 341.96966 164.3
[M+H-H2O]+ 286.00376 157.2
[M+HCOO]- 348.00470 172.5
[M+CH3COO]- 362.02035 199.7
[M+Na-2H]- 323.98117 163.5
[M]+ 303.00595 165.1
[M]- 303.00705 165.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.