CID 137951509

5-chloro-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl chloride

Structural Information

Molecular Formula
C9H7Cl2NO3S
SMILES
C1CC(=O)NC2=C1C(=C(C=C2)S(=O)(=O)Cl)Cl
InChI
InChI=1S/C9H7Cl2NO3S/c10-9-5-1-4-8(13)12-6(5)2-3-7(9)16(11,14)15/h2-3H,1,4H2,(H,12,13)
InChIKey
WCGSQINQQPAIHQ-UHFFFAOYSA-N
Compound name
5-chloro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.95236 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.95964 151.2
[M+Na]+ 301.94158 162.0
[M-H]- 277.94508 153.3
[M+NH4]+ 296.98618 168.5
[M+K]+ 317.91552 155.8
[M+H-H2O]+ 261.94962 147.8
[M+HCOO]- 323.95056 155.0
[M+CH3COO]- 337.96621 189.4
[M+Na-2H]- 299.92703 155.3
[M]+ 278.95181 153.9
[M]- 278.95291 153.9
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.