CID 165942523

Benzyl(3-bromophenyl)imino-lambda6-sulfanone

Structural Information

Molecular Formula
C13H12BrNOS
SMILES
C1=CC=C(C=C1)CS(=N)(=O)C2=CC(=CC=C2)Br
InChI
InChI=1S/C13H12BrNOS/c14-12-7-4-8-13(9-12)17(15,16)10-11-5-2-1-3-6-11/h1-9,15H,10H2
InChIKey
QVQNPNDTHPBUMV-UHFFFAOYSA-N
Compound name
benzyl-(3-bromophenyl)-imino-oxo-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.9823 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.98958 152.2
[M+Na]+ 331.97152 163.7
[M-H]- 307.97502 161.6
[M+NH4]+ 327.01612 171.0
[M+K]+ 347.94546 150.1
[M+H-H2O]+ 291.97956 151.7
[M+HCOO]- 353.98050 169.7
[M+CH3COO]- 367.99615 198.9
[M+Na-2H]- 329.95697 159.8
[M]+ 308.98175 171.0
[M]- 308.98285 171.0
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.