CID 3063120

Morpholine, 4-(3,5-dibromothiosalicyloyl)-

Structural Information

Molecular Formula
C11H11Br2NO2S
SMILES
C1COCCN1C(=O)C2=C(C(=CC(=C2)Br)Br)S
InChI
InChI=1S/C11H11Br2NO2S/c12-7-5-8(10(17)9(13)6-7)11(15)14-1-3-16-4-2-14/h5-6,17H,1-4H2
InChIKey
NTECLJOVZSHGGA-UHFFFAOYSA-N
Compound name
(3,5-dibromo-2-sulfanylphenyl)-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.88773 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.89501 144.4
[M+Na]+ 401.87695 154.6
[M-H]- 377.88045 153.1
[M+NH4]+ 396.92155 159.9
[M+K]+ 417.85089 140.3
[M+H-H2O]+ 361.88499 152.8
[M+HCOO]- 423.88593 153.0
[M+CH3COO]- 437.90158 211.9
[M+Na-2H]- 399.86240 149.0
[M]+ 378.88718 178.7
[M]- 378.88828 178.7
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.