CID 480287

Schembl9710267

Structural Information

Molecular Formula
C14H10F2N2O2S2
SMILES
C1=CC(=C(C=C1F)SSC2=C(C=CC(=C2)F)C(=O)N)C(=O)N
InChI
InChI=1S/C14H10F2N2O2S2/c15-7-1-3-9(13(17)19)11(5-7)21-22-12-6-8(16)2-4-10(12)14(18)20/h1-6H,(H2,17,19)(H2,18,20)
InChIKey
HRCSMYPXMKGXSM-UHFFFAOYSA-N
Compound name
2-[(2-carbamoyl-5-fluorophenyl)disulfanyl]-4-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

340.01517 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.02245 169.1
[M+Na]+ 363.00439 176.9
[M-H]- 339.00789 171.8
[M+NH4]+ 358.04899 181.9
[M+K]+ 378.97833 169.4
[M+H-H2O]+ 323.01243 159.6
[M+HCOO]- 385.01337 179.4
[M+CH3COO]- 399.02902 213.1
[M+Na-2H]- 360.98984 166.2
[M]+ 340.01462 167.4
[M]- 340.01572 167.4
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