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 127.8
[M+Na]+ 263.94531 141.4
[M-H]- 239.94881 136.2
[M+NH4]+ 258.98991 145.6
[M+K]+ 279.91925 133.1
[M+H-H2O]+ 223.95335 118.8
[M+HCOO]- 285.95429 143.9
[M+CH3COO]- 299.96994 199.8
[M+Na-2H]- 261.93076 133.4
[M]+ 240.95554 148.0
[M]- 240.95664 148.0
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.