CID 84289

Bis(dinonyldithiocarbamato-s,s')zinc

Structural Information

Molecular Formula
C19H39NS2
SMILES
CCCCCCCCCN(CCCCCCCCC)C(=S)S
InChI
InChI=1S/C19H39NS2/c1-3-5-7-9-11-13-15-17-20(19(21)22)18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3,(H,21,22)
InChIKey
ULPXPCXAHFNIJI-UHFFFAOYSA-N
Compound name
di(nonyl)carbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

345.25238 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.25966 187.1
[M+Na]+ 368.24160 188.0
[M-H]- 344.24510 186.1
[M+NH4]+ 363.28620 201.6
[M+K]+ 384.21554 182.8
[M+H-H2O]+ 328.24964 178.9
[M+HCOO]- 390.25058 195.7
[M+CH3COO]- 404.26623 221.5
[M+Na-2H]- 366.22705 180.9
[M]+ 345.25183 194.7
[M]- 345.25293 194.7
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

patents stripe