CID 18541161

4-[(dimethylamino)methyl]benzene-1-sulfonyl chloride hydrochloride

Structural Information

Molecular Formula
C9H12ClNO2S
SMILES
CN(C)CC1=CC=C(C=C1)S(=O)(=O)Cl
InChI
InChI=1S/C9H12ClNO2S/c1-11(2)7-8-3-5-9(6-4-8)14(10,12)13/h3-6H,7H2,1-2H3
InChIKey
FKELBQFILCLPSM-UHFFFAOYSA-N
Compound name
4-[(dimethylamino)methyl]benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

233.02773 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.03501 149.0
[M+Na]+ 256.01695 161.1
[M+NH4]+ 251.06155 157.5
[M+K]+ 271.99089 153.2
[M-H]- 232.02045 151.0
[M+Na-2H]- 254.00240 155.3
[M]+ 233.02718 152.0
[M]- 233.02828 152.0
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