CID 362835

Nsc627206

Structural Information

Molecular Formula
C10H11IN2O5S
SMILES
C1=CC(=CC=C1NC(=O)CI)S(=O)(=O)NCC(=O)O
InChI
InChI=1S/C10H11IN2O5S/c11-5-9(14)13-7-1-3-8(4-2-7)19(17,18)12-6-10(15)16/h1-4,12H,5-6H2,(H,13,14)(H,15,16)
InChIKey
SQVMGKNIRPKOGA-UHFFFAOYSA-N
Compound name
2-[[4-[(2-iodoacetyl)amino]phenyl]sulfonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.94333 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.95061 181.2
[M+Na]+ 420.93255 179.3
[M-H]- 396.93605 176.2
[M+NH4]+ 415.97715 190.2
[M+K]+ 436.90649 182.3
[M+H-H2O]+ 380.94059 170.3
[M+HCOO]- 442.94153 193.0
[M+CH3COO]- 456.95718 205.8
[M+Na-2H]- 418.91800 171.0
[M]+ 397.94278 179.8
[M]- 397.94388 179.8
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.