CID 47002977

2-(4-bromobenzenesulfonyl)-2-methylpropanenitrile

Structural Information

Molecular Formula
C10H10BrNO2S
SMILES
CC(C)(C#N)S(=O)(=O)C1=CC=C(C=C1)Br
InChI
InChI=1S/C10H10BrNO2S/c1-10(2,7-12)15(13,14)9-5-3-8(11)4-6-9/h3-6H,1-2H3
InChIKey
BZURLKRPSDLFMG-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)sulfonyl-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.96155 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.96883 141.9
[M+Na]+ 309.95077 144.7
[M+NH4]+ 304.99537 143.4
[M+K]+ 325.92471 141.9
[M-H]- 285.95427 135.2
[M+Na-2H]- 307.93622 143.4
[M]+ 286.96100 139.1
[M]- 286.96210 139.1
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

No patent data available for this compound.