CID 61728422

5-nitroquinoline-8-sulfonyl chloride

Structural Information

Molecular Formula
C9H5ClN2O4S
SMILES
C1=CC2=C(C=CC(=C2N=C1)S(=O)(=O)Cl)[N+](=O)[O-]
InChI
InChI=1S/C9H5ClN2O4S/c10-17(15,16)8-4-3-7(12(13)14)6-2-1-5-11-9(6)8/h1-5H
InChIKey
SYCSHDSCDLKMLC-UHFFFAOYSA-N
Compound name
5-nitroquinoline-8-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

271.96585 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.97313 150.2
[M+Na]+ 294.95507 159.9
[M-H]- 270.95857 154.2
[M+NH4]+ 289.99967 166.6
[M+K]+ 310.92901 151.4
[M+H-H2O]+ 254.96311 149.4
[M+HCOO]- 316.96405 163.8
[M+CH3COO]- 330.97970 185.2
[M+Na-2H]- 292.94052 159.7
[M]+ 271.96530 153.5
[M]- 271.96640 153.5
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