CID 74277

1669-83-6

Structural Information

Molecular Formula
C10H14I2N2O2S
SMILES
C1=CC(=CC=C1N(CCI)CCI)S(=O)(=O)N
InChI
InChI=1S/C10H14I2N2O2S/c11-5-7-14(8-6-12)9-1-3-10(4-2-9)17(13,15)16/h1-4H,5-8H2,(H2,13,15,16)
InChIKey
ZHSBSFPDRPSVCP-UHFFFAOYSA-N
Compound name
4-[bis(2-iodoethyl)amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.88654 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.89382 183.5
[M+Na]+ 502.87576 175.3
[M-H]- 478.87926 175.4
[M+NH4]+ 497.92036 189.5
[M+K]+ 518.84970 184.2
[M+H-H2O]+ 462.88380 170.2
[M+HCOO]- 524.88474 191.3
[M+CH3COO]- 538.90039 219.0
[M+Na-2H]- 500.86121 167.4
[M]+ 479.88599 180.1
[M]- 479.88709 180.1
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.