CID 207272

Acetamide, 2,2-dibromo-2-(phenylsulfonyl)-

Structural Information

Molecular Formula
C8H7Br2NO3S
SMILES
C1=CC=C(C=C1)S(=O)(=O)C(C(=O)N)(Br)Br
InChI
InChI=1S/C8H7Br2NO3S/c9-8(10,7(11)12)15(13,14)6-4-2-1-3-5-6/h1-5H,(H2,11,12)
InChIKey
OPZSXWFQYJVMCE-UHFFFAOYSA-N
Compound name
2-(benzenesulfonyl)-2,2-dibromoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

354.85135 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.85863 143.2
[M+Na]+ 377.84057 153.5
[M-H]- 353.84407 149.5
[M+NH4]+ 372.88517 160.1
[M+K]+ 393.81451 136.9
[M+H-H2O]+ 337.84861 150.6
[M+HCOO]- 399.84955 153.8
[M+CH3COO]- 413.86520 207.5
[M+Na-2H]- 375.82602 150.2
[M]+ 354.85080 177.1
[M]- 354.85190 177.1
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