CID 83719509

1-(5-bromothiophen-2-yl)cyclobutane-1-carbonitrile

Structural Information

Molecular Formula
C9H8BrNS
SMILES
C1CC(C1)(C#N)C2=CC=C(S2)Br
InChI
InChI=1S/C9H8BrNS/c10-8-3-2-7(12-8)9(6-11)4-1-5-9/h2-3H,1,4-5H2
InChIKey
MGRKOIQBOXGEKD-UHFFFAOYSA-N
Compound name
1-(5-bromothiophen-2-yl)cyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.95609 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.96337 130.4
[M+Na]+ 263.94531 130.0
[M+NH4]+ 258.98991 132.1
[M+K]+ 279.91925 127.3
[M-H]- 239.94881 124.3
[M+Na-2H]- 261.93076 132.0
[M]+ 240.95554 126.5
[M]- 240.95664 126.5
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.