CID 5334147

4,7-dichloro-2-(5-nitro-2-furylvinyl)quinoline

Structural Information

Molecular Formula
C15H8Cl2N2O3
SMILES
C1=CC2=C(C=C(N=C2C=C1Cl)/C=C/C3=CC=C(O3)[N+](=O)[O-])Cl
InChI
InChI=1S/C15H8Cl2N2O3/c16-9-1-5-12-13(17)8-10(18-14(12)7-9)2-3-11-4-6-15(22-11)19(20)21/h1-8H/b3-2+
InChIKey
SDZUAFJNLVAWIC-NSCUHMNNSA-N
Compound name
4,7-dichloro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.9912 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.99848 175.6
[M+Na]+ 356.98042 186.3
[M-H]- 332.98392 182.2
[M+NH4]+ 352.02502 189.9
[M+K]+ 372.95436 176.4
[M+H-H2O]+ 316.98846 173.2
[M+HCOO]- 378.98940 190.3
[M+CH3COO]- 393.00505 199.8
[M+Na-2H]- 354.96587 181.5
[M]+ 333.99065 181.1
[M]- 333.99175 181.1
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.