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]+ 239.96474 143.6
[M+Na]+ 261.94668 154.4
[M-H]- 237.95018 147.4
[M+NH4]+ 256.99128 163.0
[M+K]+ 277.92062 148.6
[M+H-H2O]+ 221.95472 140.5
[M+HCOO]- 283.95566 153.5
[M+CH3COO]- 297.97131 186.8
[M+Na-2H]- 259.93213 147.0
[M]+ 238.95691 147.6
[M]- 238.95801 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.