CID 206991

Brn 1552060

Structural Information

Molecular Formula
C16H8Cl2N2O4
SMILES
C1=CC2=C(C(=C(C=C2)[N+](=O)[O-])OC(=O)C3=C(C=C(C=C3)Cl)Cl)N=C1
InChI
InChI=1S/C16H8Cl2N2O4/c17-10-4-5-11(12(18)8-10)16(21)24-15-13(20(22)23)6-3-9-2-1-7-19-14(9)15/h1-8H
InChIKey
ZWQPZMXZQDNGBJ-UHFFFAOYSA-N
Compound name
(7-nitroquinolin-8-yl) 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

361.9861 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.99338 176.3
[M+Na]+ 384.97532 185.1
[M-H]- 360.97882 181.9
[M+NH4]+ 380.01992 188.6
[M+K]+ 400.94926 175.7
[M+H-H2O]+ 344.98336 173.3
[M+HCOO]- 406.98430 189.0
[M+CH3COO]- 420.99995 205.8
[M+Na-2H]- 382.96077 182.3
[M]+ 361.98555 180.7
[M]- 361.98665 180.7
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