CID 16228316

4-(diethylcarbamoyl)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C11H14ClNO3S
SMILES
CCN(CC)C(=O)C1=CC=C(C=C1)S(=O)(=O)Cl
InChI
InChI=1S/C11H14ClNO3S/c1-3-13(4-2)11(14)9-5-7-10(8-6-9)17(12,15)16/h5-8H,3-4H2,1-2H3
InChIKey
AHZIMJYCFKOYAH-UHFFFAOYSA-N
Compound name
4-(diethylcarbamoyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

275.0383 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.04558 156.9
[M+Na]+ 298.02752 165.1
[M-H]- 274.03102 162.4
[M+NH4]+ 293.07212 174.9
[M+K]+ 314.00146 161.7
[M+H-H2O]+ 258.03556 151.7
[M+HCOO]- 320.03650 171.1
[M+CH3COO]- 334.05215 198.4
[M+Na-2H]- 296.01297 159.3
[M]+ 275.03775 163.6
[M]- 275.03885 163.6
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