CID 323550

[(4-bromophenyl)imino]dimethyl-lambda6-sulfanone

Structural Information

Molecular Formula
C8H10BrNOS
SMILES
CS(=NC1=CC=C(C=C1)Br)(=O)C
InChI
InChI=1S/C8H10BrNOS/c1-12(2,11)10-8-5-3-7(9)4-6-8/h3-6H,1-2H3
InChIKey
IRADHOWSAHPJAJ-UHFFFAOYSA-N
Compound name
(4-bromophenyl)imino-dimethyl-oxo-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

246.96664 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.973916 135.1
[M+Na]+ 269.955858 148.1
[M-H]- 245.959364 143.5
[M+NH4]+ 265.000463 157.5
[M+K]+ 285.929798 136.5
[M+H-H2O]+ 229.963900 135.3
[M+HCOO]- 291.964841 154.1
[M+CH3COO]- 305.980491 190.7
[M+Na-2H]- 267.941306 143.0
[M]+ 246.96609142 156.3
[M]- 246.96718858 156.3
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