CID 22309181

369403-30-5

Structural Information

Molecular Formula
C13H15Cl2NO4
SMILES
CC(C)(C)OC(=O)NC(C1=CC(=CC(=C1)Cl)Cl)C(=O)O
InChI
InChI=1S/C13H15Cl2NO4/c1-13(2,3)20-12(19)16-10(11(17)18)7-4-8(14)6-9(15)5-7/h4-6,10H,1-3H3,(H,16,19)(H,17,18)
InChIKey
KJSGAMITXFBSOT-UHFFFAOYSA-N
Compound name
2-(3,5-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

319.0378 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.045076 165.5
[M+Na]+ 342.027018 173.1
[M-H]- 318.030524 167.8
[M+NH4]+ 337.071623 180.7
[M+K]+ 358.000958 169.1
[M+H-H2O]+ 302.035060 161.9
[M+HCOO]- 364.036001 175.8
[M+CH3COO]- 378.051651 203.7
[M+Na-2H]- 340.012466 166.6
[M]+ 319.03725142 170.3
[M]- 319.03834858 170.3
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

patents stripe