CID 11053667

3-amino-5-bromobenzofuran-2-carbonitrile

Structural Information

Molecular Formula
C9H5BrN2O
SMILES
C1=CC2=C(C=C1Br)C(=C(O2)C#N)N
InChI
InChI=1S/C9H5BrN2O/c10-5-1-2-7-6(3-5)9(12)8(4-11)13-7/h1-3H,12H2
InChIKey
SPXNLNOWESZBOL-UHFFFAOYSA-N
Compound name
3-amino-5-bromo-1-benzofuran-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

235.95853 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.96581 143.7
[M+Na]+ 258.94775 160.1
[M-H]- 234.95125 149.6
[M+NH4]+ 253.99235 164.1
[M+K]+ 274.92169 147.9
[M+H-H2O]+ 218.95579 136.8
[M+HCOO]- 280.95673 165.6
[M+CH3COO]- 294.97238 158.3
[M+Na-2H]- 256.93320 151.2
[M]+ 235.95798 157.2
[M]- 235.95908 157.2
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