CID 219340

2-(4-bromobenzylidene)malononitrile

Structural Information

Molecular Formula
C10H5BrN2
SMILES
C1=CC(=CC=C1C=C(C#N)C#N)Br
InChI
InChI=1S/C10H5BrN2/c11-10-3-1-8(2-4-10)5-9(6-12)7-13/h1-5H
InChIKey
MYMFYWGVTXOLRG-UHFFFAOYSA-N
Compound name
2-[(4-bromophenyl)methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

58
Patents

231.96361 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.97089 150.9
[M+Na]+ 254.95283 163.5
[M-H]- 230.95633 154.3
[M+NH4]+ 249.99743 164.9
[M+K]+ 270.92677 152.7
[M+H-H2O]+ 214.96087 140.2
[M+HCOO]- 276.96181 165.4
[M+CH3COO]- 290.97746 217.7
[M+Na-2H]- 252.93828 154.2
[M]+ 231.96306 154.5
[M]- 231.96416 154.5
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