CID 11322250

P-bromophenyl methyl sulfoximine

Structural Information

Molecular Formula
C7H8BrNOS
SMILES
CS(=N)(=O)C1=CC=C(C=C1)Br
InChI
InChI=1S/C7H8BrNOS/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5,9H,1H3
InChIKey
VFSHUOASIOCCAA-UHFFFAOYSA-N
Compound name
(4-bromophenyl)-imino-methyl-oxo-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

66
Patents

232.951 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.958276 131.2
[M+Na]+ 255.940218 144.0
[M-H]- 231.943724 138.3
[M+NH4]+ 250.984823 153.3
[M+K]+ 271.914158 131.6
[M+H-H2O]+ 215.948260 131.7
[M+HCOO]- 277.949201 149.0
[M+CH3COO]- 291.964851 186.0
[M+Na-2H]- 253.925666 139.1
[M]+ 232.95045142 150.3
[M]- 232.95154858 150.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe