CID 146049616

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

Structural Information

Molecular Formula
C8H10BrNOS
SMILES
CS(=N)(=O)CC1=CC=C(C=C1)Br
InChI
InChI=1S/C8H10BrNOS/c1-12(10,11)6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3
InChIKey
NIQQYJJUPYEIKV-UHFFFAOYSA-N
Compound name
(4-bromophenyl)methyl-imino-methyl-oxo-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.96664 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.97392 133.4
[M+Na]+ 269.95586 136.1
[M+NH4]+ 265.00046 138.6
[M+K]+ 285.92980 135.2
[M-H]- 245.95936 134.2
[M+Na-2H]- 267.94131 137.7
[M]+ 246.96609 133.3
[M]- 246.96719 133.3
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

No patent data available for this compound.