CID 10598

517-16-8

Structural Information

Molecular Formula
C15H17HgNO2S
SMILES
CC[Hg]N(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C13H12NO2S.C2H5.Hg/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12;1-2;/h2-10H,1H3;1H2,2H3;/q-1;;+1
InChIKey
XAGAASDWSFGQEC-UHFFFAOYSA-N
Compound name
ethyl-(N-(4-methylphenyl)sulfonylanilino)mercury
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

1714
Patents

477.06863 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.07591 195.6
[M+Na]+ 500.05785 207.6
[M+NH4]+ 495.10245 203.1
[M+K]+ 516.03179 197.0
[M-H]- 476.06135 199.8
[M+Na-2H]- 498.04330 202.5
[M]+ 477.06808 199.0
[M]- 477.06918 199.0
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