CID 3049424

Brn 0665043

Structural Information

Molecular Formula
C12H10Br2N4
SMILES
CC(C)C1=C(C(=CC(=C1)Br)Br)NN=C(C#N)C#N
InChI
InChI=1S/C12H10Br2N4/c1-7(2)10-3-8(13)4-11(14)12(10)18-17-9(5-15)6-16/h3-4,7,18H,1-2H3
InChIKey
RDMRJFQWCGNQNZ-UHFFFAOYSA-N
Compound name
2-[(2,4-dibromo-6-propan-2-ylphenyl)hydrazinylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.92722 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.93450 150.0
[M+Na]+ 390.91644 160.3
[M-H]- 366.91994 151.9
[M+NH4]+ 385.96104 160.5
[M+K]+ 406.89038 146.9
[M+H-H2O]+ 350.92448 144.1
[M+HCOO]- 412.92542 164.3
[M+CH3COO]- 426.94107 237.7
[M+Na-2H]- 388.90189 152.0
[M]+ 367.92667 164.7
[M]- 367.92777 164.7
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.