CID 3065803

108935-06-4

Structural Information

Molecular Formula
C14H9Cl2NO4
SMILES
C1=CC=C(C(=C1)C(=O)OC2=C(C=CC(=C2)Cl)Cl)OC(=O)N
InChI
InChI=1S/C14H9Cl2NO4/c15-8-5-6-10(16)12(7-8)20-13(18)9-3-1-2-4-11(9)21-14(17)19/h1-7H,(H2,17,19)
InChIKey
SYIVIYLREXICPG-UHFFFAOYSA-N
Compound name
(2,5-dichlorophenyl) 2-carbamoyloxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.99088 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.99816 165.8
[M+Na]+ 347.98010 175.4
[M-H]- 323.98360 172.2
[M+NH4]+ 343.02470 180.9
[M+K]+ 363.95404 170.4
[M+H-H2O]+ 307.98814 160.2
[M+HCOO]- 369.98908 180.4
[M+CH3COO]- 384.00473 205.0
[M+Na-2H]- 345.96555 167.8
[M]+ 324.99033 171.1
[M]- 324.99143 171.1
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.