CID 14223976

Brn 5982433

Structural Information

Molecular Formula
C15H11Cl2NO4
SMILES
CC1=C(C=CC(=C1)OC(=O)C2=C(C=CC(=C2)Cl)OC(=O)N)Cl
InChI
InChI=1S/C15H11Cl2NO4/c1-8-6-10(3-4-12(8)17)21-14(19)11-7-9(16)2-5-13(11)22-15(18)20/h2-7H,1H3,(H2,18,20)
InChIKey
XQCKHALKVIBURQ-UHFFFAOYSA-N
Compound name
(4-chloro-3-methylphenyl) 2-carbamoyloxy-5-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.0065 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.013776 170.1
[M+Na]+ 361.995718 180.2
[M-H]- 337.999224 176.7
[M+NH4]+ 357.040323 184.9
[M+K]+ 377.969658 175.1
[M+H-H2O]+ 322.003760 164.6
[M+HCOO]- 384.004701 184.4
[M+CH3COO]- 398.020351 209.2
[M+Na-2H]- 359.981166 170.9
[M]+ 339.00595142 176.2
[M]- 339.00704858 176.2
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.