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

25
Patents

246.96664 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.97392 135.1
[M+Na]+ 269.95586 148.1
[M-H]- 245.95936 143.5
[M+NH4]+ 265.00046 157.5
[M+K]+ 285.92980 136.5
[M+H-H2O]+ 229.96390 135.3
[M+HCOO]- 291.96484 154.1
[M+CH3COO]- 305.98049 190.7
[M+Na-2H]- 267.94131 143.0
[M]+ 246.96609 156.3
[M]- 246.96719 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