CID 10773511

5-bromofuran-3-carbonitrile

Structural Information

Molecular Formula
C5H2BrNO
SMILES
C1=C(OC=C1C#N)Br
InChI
InChI=1S/C5H2BrNO/c6-5-1-4(2-7)3-8-5/h1,3H
InChIKey
FHZRESZQRWJKKB-UHFFFAOYSA-N
Compound name
5-bromofuran-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

170.93198 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.93926 122.4
[M+Na]+ 193.92120 137.7
[M-H]- 169.92470 127.9
[M+NH4]+ 188.96580 144.5
[M+K]+ 209.89514 128.1
[M+H-H2O]+ 153.92924 116.3
[M+HCOO]- 215.93018 144.4
[M+CH3COO]- 229.94583 187.4
[M+Na-2H]- 191.90665 131.3
[M]+ 170.93143 135.6
[M]- 170.93253 135.6
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