CID 43100164

2-methoxy-4-(propane-1-sulfonamido)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C10H14ClNO5S2
SMILES
CCCS(=O)(=O)NC1=CC(=C(C=C1)S(=O)(=O)Cl)OC
InChI
InChI=1S/C10H14ClNO5S2/c1-3-6-18(13,14)12-8-4-5-10(19(11,15)16)9(7-8)17-2/h4-5,7,12H,3,6H2,1-2H3
InChIKey
CJMPQTCVAUWJDF-UHFFFAOYSA-N
Compound name
2-methoxy-4-(propylsulfonylamino)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.00018 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.00746 167.2
[M+Na]+ 349.98940 175.8
[M-H]- 325.99290 171.0
[M+NH4]+ 345.03400 182.3
[M+K]+ 365.96334 170.2
[M+H-H2O]+ 309.99744 162.1
[M+HCOO]- 371.99838 175.5
[M+CH3COO]- 386.01403 201.5
[M+Na-2H]- 347.97485 170.9
[M]+ 326.99963 174.9
[M]- 327.00073 174.9
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.