CID 76799

Phenyl(trichloromethyl)mercury

Structural Information

Molecular Formula

C₇H₅Cl₃Hg

SMILES

C1=CC=C(C=C1)[Hg]C(Cl)(Cl)Cl

InChI

InChI=1S/C6H5.CCl3.Hg/c1-2-4-6-5-3-1;2-1(3)4;/h1-5H;;

InChIKey

MVIAEGXPYBMVPT-UHFFFAOYSA-N

Compound name

phenyl(trichloromethyl)mercury

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 167
Patents: 395.91632 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	396.923596	174.5
[M+Na]+	418.905538	182.4
[M-H]-	394.909044	174.9
[M+NH4]+	413.950143	192.6
[M+K]+	434.879478	175.5
[M+H-H2O]+	378.913580	169.4
[M+HCOO]-	440.914521	180.4
[M+CH3COO]-	454.930171	189.8
[M+Na-2H]-	416.890986	177.4
[M]+	395.91577142	176.4
[M]-	395.91686858	176.4

Literature stripe

literature stripe

Patent stripe

patents stripe