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

13
Patents

264.81964 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.82692 118.3
[M+Na]+ 287.80886 134.4
[M-H]- 263.81236 124.1
[M+NH4]+ 282.85346 139.0
[M+K]+ 303.78280 118.7
[M+H-H2O]+ 247.81690 120.9
[M+HCOO]- 309.81784 134.2
[M+CH3COO]- 323.83349 206.0
[M+Na-2H]- 285.79431 124.7
[M]+ 264.81909 146.7
[M]- 264.82019 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