CID 18072812

4-[(2-methylpropyl)sulfamoyl]benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C10H14ClNO4S2
SMILES
CC(C)CNS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)Cl
InChI
InChI=1S/C10H14ClNO4S2/c1-8(2)7-12-18(15,16)10-5-3-9(4-6-10)17(11,13)14/h3-6,8,12H,7H2,1-2H3
InChIKey
FNMXYDGPQHCAGI-UHFFFAOYSA-N
Compound name
4-(2-methylpropylsulfamoyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.00528 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.01256 163.9
[M+Na]+ 333.99450 171.7
[M-H]- 309.99800 167.6
[M+NH4]+ 329.03910 179.5
[M+K]+ 349.96844 166.1
[M+H-H2O]+ 294.00254 159.0
[M+HCOO]- 356.00348 171.0
[M+CH3COO]- 370.01913 199.0
[M+Na-2H]- 331.97995 167.0
[M]+ 311.00473 169.4
[M]- 311.00583 169.4
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.