CID 58304215

2-propanesulfinamide,n-[1-(2-fluoro-5-bromophenyl)ethylidene]-2-methyl,[s(r)]-

Structural Information

Molecular Formula
C12H15BrFNOS
SMILES
C/C(=N\S(=O)C(C)(C)C)/C1=C(C=CC(=C1)Br)F
InChI
InChI=1S/C12H15BrFNOS/c1-8(15-17(16)12(2,3)4)10-7-9(13)5-6-11(10)14/h5-7H,1-4H3/b15-8+
InChIKey
WOADMISSFZLHGL-OVCLIPMQSA-N
Compound name
(NE)-N-[1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

148
Patents

319.00418 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.01146 155.9
[M+Na]+ 341.99340 167.4
[M-H]- 317.99690 162.6
[M+NH4]+ 337.03800 175.5
[M+K]+ 357.96734 155.3
[M+H-H2O]+ 302.00144 154.6
[M+HCOO]- 364.00238 170.5
[M+CH3COO]- 378.01803 206.4
[M+Na-2H]- 339.97885 158.6
[M]+ 319.00363 176.3
[M]- 319.00473 176.3
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