CID 215990

2,2-dibromo-n-(phenylsulfonyl)acetamide

Structural Information

Molecular Formula
C8H7Br2NO3S
SMILES
C1=CC=C(C=C1)S(=O)(=O)NC(=O)C(Br)Br
InChI
InChI=1S/C8H7Br2NO3S/c9-7(10)8(12)11-15(13,14)6-4-2-1-3-5-6/h1-5,7H,(H,11,12)
InChIKey
HGCIBTXRZGHPJF-UHFFFAOYSA-N
Compound name
N-(benzenesulfonyl)-2,2-dibromoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.85135 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.85863 140.1
[M+Na]+ 377.84057 150.1
[M-H]- 353.84407 146.8
[M+NH4]+ 372.88517 157.3
[M+K]+ 393.81451 133.8
[M+H-H2O]+ 337.84861 147.4
[M+HCOO]- 399.84955 151.8
[M+CH3COO]- 413.86520 207.8
[M+Na-2H]- 375.82602 146.7
[M]+ 354.85080 174.8
[M]- 354.85190 174.8
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

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