CID 106885025

5-bromo-4-chlorothiophene-2-carbonitrile

Structural Information

Molecular Formula
C5HBrClNS
SMILES
C1=C(SC(=C1Cl)Br)C#N
InChI
InChI=1S/C5HBrClNS/c6-5-4(7)1-3(2-8)9-5/h1H
InChIKey
OXFJDBXVGSQUSF-UHFFFAOYSA-N
Compound name
5-bromo-4-chlorothiophene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.87016 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.87744 131.2
[M+Na]+ 243.85938 149.3
[M-H]- 219.86288 137.9
[M+NH4]+ 238.90398 154.8
[M+K]+ 259.83332 136.2
[M+H-H2O]+ 203.86742 126.7
[M+HCOO]- 265.86836 145.5
[M+CH3COO]- 279.88401 193.2
[M+Na-2H]- 241.84483 135.8
[M]+ 220.86961 146.7
[M]- 220.87071 146.7
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.