CID 5936057

Nsc681086

Structural Information

Molecular Formula
C13H12BF2N3S
SMILES
B(F)(F)S/C(=N\N=C(\C)/C1=CC2=CC=CC=C2C=C1)/N
InChI
InChI=1S/C13H12BF2N3S/c1-9(18-19-13(17)20-14(15)16)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1H3,(H2,17,19)/b18-9-
InChIKey
IRLLNVJBPLZFNI-NVMNQCDNSA-N
Compound name
difluoroboranyl N'-[(Z)-1-naphthalen-2-ylethylideneamino]carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.0813 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.08858 160.5
[M+Na]+ 314.07052 166.6
[M-H]- 290.07402 164.0
[M+NH4]+ 309.11512 177.5
[M+K]+ 330.04446 162.5
[M+H-H2O]+ 274.07856 150.9
[M+HCOO]- 336.07950 178.5
[M+CH3COO]- 350.09515 211.5
[M+Na-2H]- 312.05597 162.8
[M]+ 291.08075 158.6
[M]- 291.08185 158.6
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.