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
2
Annotation Hits

0
References

1760
Patents

338.0343 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.041576 167.5
[M+Na]+ 361.023518 172.1
[M-H]- 337.027024 169.1
[M+NH4]+ 356.068123 185.5
[M+K]+ 376.997458 169.3
[M+H-H2O]+ 321.031560 159.2
[M+HCOO]- 383.032501 191.1
[M+CH3COO]- 397.048151 186.3
[M+Na-2H]- 359.008966 170.5
[M]+ 338.03375142 164.5
[M]- 338.03484858 164.5
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