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
3
Annotation Hits

8
References

2589
Patents

477.06863 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.075906 202.5
[M+Na]+ 500.057848 207.8
[M-H]- 476.061354 209.0
[M+NH4]+ 495.102453 216.6
[M+K]+ 516.031788 203.1
[M+H-H2O]+ 460.065890 192.6
[M+HCOO]- 522.066831 219.6
[M+CH3COO]- 536.082481 211.4
[M+Na-2H]- 498.043296 202.6
[M]+ 477.06808142 206.2
[M]- 477.06917858 206.2
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