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

18
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 146.1
[M+Na]+ 256.01695 155.2
[M-H]- 232.02045 151.8
[M+NH4]+ 251.06155 166.0
[M+K]+ 271.99089 151.9
[M+H-H2O]+ 216.02499 141.1
[M+HCOO]- 278.02593 161.5
[M+CH3COO]- 292.04158 191.1
[M+Na-2H]- 254.00240 150.3
[M]+ 233.02718 151.9
[M]- 233.02828 151.9
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

patents stripe