CID 3049406

Brn 0655716

Structural Information

Molecular Formula
C10H7BrN4O
SMILES
COC1=C(C=C(C=C1)Br)NN=C(C#N)C#N
InChI
InChI=1S/C10H7BrN4O/c1-16-10-3-2-7(11)4-9(10)15-14-8(5-12)6-13/h2-4,15H,1H3
InChIKey
AVUSRYKFIVMJCQ-UHFFFAOYSA-N
Compound name
2-[(5-bromo-2-methoxyphenyl)hydrazinylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.98032 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.98760 176.3
[M+Na]+ 300.96954 178.5
[M+NH4]+ 296.01414 175.0
[M+K]+ 316.94348 172.5
[M-H]- 276.97304 167.6
[M+Na-2H]- 298.95499 174.1
[M]+ 277.97977 172.3
[M]- 277.98087 172.3
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.