CID 91647653

1379297-81-0

Structural Information

Molecular Formula
C7H7Cl2NO2S
SMILES
C1=C(C=C(C=C1S(=O)(=O)N)Cl)CCl
InChI
InChI=1S/C7H7Cl2NO2S/c8-4-5-1-6(9)3-7(2-5)13(10,11)12/h1-3H,4H2,(H2,10,11,12)
InChIKey
YRKXZVFOQWWYLJ-UHFFFAOYSA-N
Compound name
3-chloro-5-(chloromethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.95746 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.964736 143.6
[M+Na]+ 261.946678 154.4
[M-H]- 237.950184 147.4
[M+NH4]+ 256.991283 163.0
[M+K]+ 277.920618 148.6
[M+H-H2O]+ 221.954720 140.5
[M+HCOO]- 283.955661 153.5
[M+CH3COO]- 297.971311 186.8
[M+Na-2H]- 259.932126 147.0
[M]+ 238.95691142 147.6
[M]- 238.95800858 147.6
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

No patent data available for this compound.