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]+ 480.893816 183.5
[M+Na]+ 502.875758 175.3
[M-H]- 478.879264 175.4
[M+NH4]+ 497.920363 189.5
[M+K]+ 518.849698 184.2
[M+H-H2O]+ 462.883800 170.2
[M+HCOO]- 524.884741 191.3
[M+CH3COO]- 538.900391 219.0
[M+Na-2H]- 500.861206 167.4
[M]+ 479.88599142 180.1
[M]- 479.88708858 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.