CID 52325468

4-(4-bromo-benzyl)-thiomorpholine 1,1-dioxide

Structural Information

Molecular Formula
C11H14BrNO2S
SMILES
C1CS(=O)(=O)CCN1CC2=CC=C(C=C2)Br
InChI
InChI=1S/C11H14BrNO2S/c12-11-3-1-10(2-4-11)9-13-5-7-16(14,15)8-6-13/h1-4H,5-9H2
InChIKey
KSSKLCBHWXGCIQ-UHFFFAOYSA-N
Compound name
4-[(4-bromophenyl)methyl]-1,4-thiazinane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

302.99286 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.00014 146.7
[M+Na]+ 325.98208 158.2
[M-H]- 301.98558 154.7
[M+NH4]+ 321.02668 166.8
[M+K]+ 341.95602 146.5
[M+H-H2O]+ 285.99012 147.1
[M+HCOO]- 347.99106 160.6
[M+CH3COO]- 362.00671 194.4
[M+Na-2H]- 323.96753 152.6
[M]+ 302.99231 165.1
[M]- 302.99341 165.1
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

patents stripe