CID 3019490

83929-47-9

Structural Information

Molecular Formula
C15H10Cl2N2O5
SMILES
COC(=O)C1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)Cl)Cl)[N+](=O)[O-]
InChI
InChI=1S/C15H10Cl2N2O5/c1-24-15(21)10-4-2-8(6-13(10)19(22)23)14(20)18-12-7-9(16)3-5-11(12)17/h2-7H,1H3,(H,18,20)
InChIKey
BVBSCSYCFCDVEU-UHFFFAOYSA-N
Compound name
methyl 4-[(2,5-dichlorophenyl)carbamoyl]-2-nitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.99667 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.00395 178.0
[M+Na]+ 390.98589 185.3
[M-H]- 366.98939 184.2
[M+NH4]+ 386.03049 190.3
[M+K]+ 406.95983 177.0
[M+H-H2O]+ 350.99393 176.7
[M+HCOO]- 412.99487 193.4
[M+CH3COO]- 427.01052 208.5
[M+Na-2H]- 388.97134 180.7
[M]+ 367.99612 182.2
[M]- 367.99722 182.2
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.