CID 16783

Phenylmercuriurea

Structural Information

Molecular Formula

C₇H₈HgN₂O

SMILES

C1=CC=C(C=C1)[Hg]NC(=O)N

InChI

InChI=1S/C6H5.CH4N2O.Hg/c1-2-4-6-5-3-1;2-1(3)4;/h1-5H;(H4,2,3,4);/q;;+1/p-1

InChIKey

UNQDVBLGFWIFGX-UHFFFAOYSA-M

Compound name

(carbamoylamino)-phenylmercury

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1275
Patents: 338.0343 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]+	339.04158	160.4
[M+Na]+	361.02352	170.1
[M+NH4]+	356.06812	167.8
[M+K]+	376.99746	162.9
[M-H]-	337.02702	162.7
[M+Na-2H]-	359.00897	165.2
[M]+	338.03375	162.0
[M]-	338.03485	162.0

Literature stripe

literature stripe

Patent stripe

patents stripe