CID 131494229

(3-bromophenyl)(ethyl)imino-lambda6-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]+ 247.97392 135.7
[M+Na]+ 269.95586 148.1
[M-H]- 245.95936 142.5
[M+NH4]+ 265.00046 157.3
[M+K]+ 285.92980 135.4
[M+H-H2O]+ 229.96390 136.0
[M+HCOO]- 291.96484 153.1
[M+CH3COO]- 305.98049 188.9
[M+Na-2H]- 267.94131 143.1
[M]+ 246.96609 155.1
[M]- 246.96719 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.