CID 9579007

Nsc676957

Structural Information

Molecular Formula
C16H15FN2S2
SMILES
C/C(=N/NC(=S)SCC1=CC=CC=C1)/C2=CC=CC=C2F
InChI
InChI=1S/C16H15FN2S2/c1-12(14-9-5-6-10-15(14)17)18-19-16(20)21-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,19,20)/b18-12-
InChIKey
VIKLJNHCQQBODX-PDGQHHTCSA-N
Compound name
benzyl N-[(Z)-1-(2-fluorophenyl)ethylideneamino]carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.06607 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.07335 168.8
[M+Na]+ 341.05529 174.8
[M-H]- 317.05879 174.5
[M+NH4]+ 336.09989 183.6
[M+K]+ 357.02923 167.7
[M+H-H2O]+ 301.06333 159.6
[M+HCOO]- 363.06427 182.1
[M+CH3COO]- 377.07992 210.1
[M+Na-2H]- 339.04074 169.2
[M]+ 318.06552 168.5
[M]- 318.06662 168.5
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.