CID 3034692

2045-20-7

Structural Information

Molecular Formula
C11H16Cl2N2O2S
SMILES
CC(CN(CCCl)C1=CC=C(C=C1)S(=O)(=O)N)Cl
InChI
InChI=1S/C11H16Cl2N2O2S/c1-9(13)8-15(7-6-12)10-2-4-11(5-3-10)18(14,16)17/h2-5,9H,6-8H2,1H3,(H2,14,16,17)
InChIKey
VUIREHGNEPGTHF-UHFFFAOYSA-N
Compound name
4-[2-chloroethyl(2-chloropropyl)amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.03094 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.03822 165.3
[M+Na]+ 333.02016 172.4
[M-H]- 309.02366 169.4
[M+NH4]+ 328.06476 181.6
[M+K]+ 348.99410 167.4
[M+H-H2O]+ 293.02820 160.6
[M+HCOO]- 355.02914 174.3
[M+CH3COO]- 369.04479 206.5
[M+Na-2H]- 331.00561 166.2
[M]+ 310.03039 170.4
[M]- 310.03149 170.4
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.