CID 3005601

Nsc631946

Structural Information

Molecular Formula
C14H14HgN2S2
SMILES
CC1=CC=C(C=C1)[Hg]SC(=S)NNC2=CC=CC=C2
InChI
InChI=1S/C7H8N2S2.C7H7.Hg/c10-7(11)9-8-6-4-2-1-3-5-6;1-7-5-3-2-4-6-7;/h1-5,8H,(H2,9,10,11);3-6H,1H3;/q;;+1/p-1
InChIKey
HCYGHIGPXCFWKN-UHFFFAOYSA-M
Compound name
anilinocarbamothioylsulfanyl-(4-methylphenyl)mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.0305 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.03778 196.2
[M+Na]+ 499.01972 200.6
[M-H]- 475.02322 200.4
[M+NH4]+ 494.06432 209.7
[M+K]+ 514.99366 192.4
[M+H-H2O]+ 459.02776 186.5
[M+HCOO]- 521.02870 208.3
[M+CH3COO]- 535.04435 210.1
[M+Na-2H]- 497.00517 194.8
[M]+ 476.02995 195.9
[M]- 476.03105 195.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.