CID 465624

5cl-8-quinol-so2-(no2cl)ph

Structural Information

Molecular Formula
C15H12Cl2N2O4S
SMILES
C1CC2=C(C=CC(=C2NC1)S(=O)(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C15H12Cl2N2O4S/c16-9-3-5-13(12(8-9)19(20)21)24(22,23)14-6-4-11(17)10-2-1-7-18-15(10)14/h3-6,8,18H,1-2,7H2
InChIKey
JAJDDKBVFLEYBV-UHFFFAOYSA-N
Compound name
5-chloro-8-(4-chloro-2-nitrophenyl)sulfonyl-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.98947 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.99675 179.4
[M+Na]+ 408.97869 186.4
[M-H]- 384.98219 183.5
[M+NH4]+ 404.02329 190.6
[M+K]+ 424.95263 175.7
[M+H-H2O]+ 368.98673 178.1
[M+HCOO]- 430.98767 182.9
[M+CH3COO]- 445.00332 204.1
[M+Na-2H]- 406.96414 184.5
[M]+ 385.98892 179.9
[M]- 385.99002 179.9
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.