CID 708670

5-bromofuran-2-carbonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

173
Patents

170.93198 Da
Monoisotopic Mass

2.1
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

literature stripe

Patent stripe

patents stripe