CID 7131580

874754-28-6

Structural Information

Molecular Formula
C12H16BrNO4S
SMILES
C1COCCN1S(=O)(=O)C2=CC=C(C=C2)OCCBr
InChI
InChI=1S/C12H16BrNO4S/c13-5-8-18-11-1-3-12(4-2-11)19(15,16)14-6-9-17-10-7-14/h1-4H,5-10H2
InChIKey
RNGPYGSMWJMZME-UHFFFAOYSA-N
Compound name
4-[4-(2-bromoethoxy)phenyl]sulfonylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.99835 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.00563 160.5
[M+Na]+ 371.98757 169.9
[M-H]- 347.99107 168.4
[M+NH4]+ 367.03217 175.3
[M+K]+ 387.96151 160.0
[M+H-H2O]+ 331.99561 159.8
[M+HCOO]- 393.99655 172.2
[M+CH3COO]- 408.01220 200.9
[M+Na-2H]- 369.97302 166.7
[M]+ 348.99780 180.9
[M]- 348.99890 180.9
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.