CID 67361

Refchem:596791

Structural Information

Molecular Formula
C9H10HgO2S
SMILES
CC[Hg]SC1=CC=CC=C1C(=O)O
InChI
InChI=1S/C7H6O2S.C2H5.Hg/c8-7(9)5-3-1-2-4-6(5)10;1-2;/h1-4,10H,(H,8,9);1H2,2H3;/q;;+1/p-1
InChIKey
HXQVQGWHFRNKMS-UHFFFAOYSA-M
Compound name
(2-carboxyphenyl)sulfanyl-ethylmercury
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

1343
References

19766
Patents

384.0108 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.01808 177.6
[M+Na]+ 407.00002 183.5
[M-H]- 383.00352 178.6
[M+NH4]+ 402.04462 194.9
[M+K]+ 422.97396 179.2
[M+H-H2O]+ 367.00806 170.0
[M+HCOO]- 429.00900 192.5
[M+CH3COO]- 443.02465 188.1
[M+Na-2H]- 404.98547 175.8
[M]+ 384.01025 180.1
[M]- 384.01135 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

literature stripe

Patent stripe

patents stripe