CID 131494229

(3-bromophenyl)(ethyl)(imino)-l6-sulfanone

Structural Information

Molecular Formula
C8H10BrNOS
SMILES
CCS(=N)(=O)C1=CC(=CC=C1)Br
InChI
InChI=1S/C8H10BrNOS/c1-2-12(10,11)8-5-3-4-7(9)6-8/h3-6,10H,2H2,1H3
InChIKey
ZOCDVQLMBOSZSY-UHFFFAOYSA-N
Compound name
(3-bromophenyl)-ethyl-imino-oxo-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.96664 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.973916 135.7
[M+Na]+ 269.955858 148.1
[M-H]- 245.959364 142.5
[M+NH4]+ 265.000463 157.3
[M+K]+ 285.929798 135.4
[M+H-H2O]+ 229.963900 136.0
[M+HCOO]- 291.964841 153.1
[M+CH3COO]- 305.980491 188.9
[M+Na-2H]- 267.941306 143.1
[M]+ 246.96609142 155.1
[M]- 246.96718858 155.1
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.