CID 7275195

676474-43-4

Structural Information

Molecular Formula
C14H7BrN2O
SMILES
C1=CC=C(C(=C1)C2=CC=C(O2)C=C(C#N)C#N)Br
InChI
InChI=1S/C14H7BrN2O/c15-13-4-2-1-3-12(13)14-6-5-11(18-14)7-10(8-16)9-17/h1-7H
InChIKey
OBCJEFHJTRAZII-UHFFFAOYSA-N
Compound name
2-[[5-(2-bromophenyl)furan-2-yl]methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.97418 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.98146 179.5
[M+Na]+ 320.96340 183.0
[M+NH4]+ 316.00800 178.6
[M+K]+ 336.93734 177.3
[M-H]- 296.96690 171.6
[M+Na-2H]- 318.94885 177.7
[M]+ 297.97363 176.0
[M]- 297.97473 176.0
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

No patent data available for this compound.