CID 111966

68959-43-3

Structural Information

Molecular Formula
C10H13ClN2O5S
SMILES
COCCCNS(=O)(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]
InChI
InChI=1S/C10H13ClN2O5S/c1-18-6-2-5-12-19(16,17)8-3-4-9(11)10(7-8)13(14)15/h3-4,7,12H,2,5-6H2,1H3
InChIKey
YAWMNZHPWVHLMW-UHFFFAOYSA-N
Compound name
4-chloro-N-(3-methoxypropyl)-3-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

308.02338 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.03066 162.6
[M+Na]+ 331.01260 169.4
[M-H]- 307.01610 166.4
[M+NH4]+ 326.05720 177.4
[M+K]+ 346.98654 161.3
[M+H-H2O]+ 291.02064 161.6
[M+HCOO]- 353.02158 178.3
[M+CH3COO]- 367.03723 194.8
[M+Na-2H]- 328.99805 168.6
[M]+ 308.02283 167.2
[M]- 308.02393 167.2
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.