CID 501113

60264-43-9

Structural Information

Molecular Formula
C12H10INO3S
SMILES
C1=CC=C(C(=C1)CS(=O)(=O)C2=CC=CC=[N+]2[O-])I
InChI
InChI=1S/C12H10INO3S/c13-11-6-2-1-5-10(11)9-18(16,17)12-7-3-4-8-14(12)15/h1-8H,9H2
InChIKey
GHUAEOHVHBBXSV-UHFFFAOYSA-N
Compound name
2-[(2-iodophenyl)methylsulfonyl]-1-oxidopyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

374.9426 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.94988 170.4
[M+Na]+ 397.93182 171.9
[M-H]- 373.93532 167.8
[M+NH4]+ 392.97642 180.0
[M+K]+ 413.90576 168.5
[M+H-H2O]+ 357.93986 163.6
[M+HCOO]- 419.94080 182.1
[M+CH3COO]- 433.95645 190.9
[M+Na-2H]- 395.91727 164.8
[M]+ 374.94205 167.3
[M]- 374.94315 167.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe