CID 17764639

2,5-dibromothiophene-3-carbonitrile

Structural Information

Molecular Formula
C5HBr2NS
SMILES
C1=C(SC(=C1C#N)Br)Br
InChI
InChI=1S/C5HBr2NS/c6-4-1-3(2-8)5(7)9-4/h1H
InChIKey
LUMVQVNVTYNDQS-UHFFFAOYSA-N
Compound name
2,5-dibromothiophene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

264.81964 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.826916 118.3
[M+Na]+ 287.808858 134.4
[M-H]- 263.812364 124.1
[M+NH4]+ 282.853463 139.0
[M+K]+ 303.782798 118.7
[M+H-H2O]+ 247.816900 120.9
[M+HCOO]- 309.817841 134.2
[M+CH3COO]- 323.833491 206.0
[M+Na-2H]- 285.794306 124.7
[M]+ 264.81909142 146.7
[M]- 264.82018858 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

patents stripe