CID 16683026

Acetyloxy-[4-(dimethylamino)phenyl]mercury

Structural Information

Molecular Formula
C10H13HgNO2
SMILES
CC(=O)O[Hg]C1=CC=C(C=C1)N(C)C
InChI
InChI=1S/C8H10N.C2H4O2.Hg/c1-9(2)8-6-4-3-5-7-8;1-2(3)4;/h4-7H,1-2H3;1H3,(H,3,4);/q;;+1/p-1
InChIKey
JUHSGDOCZQLSQX-UHFFFAOYSA-M
Compound name
acetyloxy-[4-(dimethylamino)phenyl]mercury
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

381.06528 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.07256 180.1
[M+Na]+ 404.05450 185.4
[M-H]- 380.05800 183.7
[M+NH4]+ 399.09910 198.0
[M+K]+ 420.02844 184.2
[M+H-H2O]+ 364.06254 171.6
[M+HCOO]- 426.06348 203.1
[M+CH3COO]- 440.07913 197.7
[M+Na-2H]- 402.03995 180.8
[M]+ 381.06473 183.2
[M]- 381.06583 183.2
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