CID 3049415

Propanedinitrile, ((2,6-dibromo-4-fluorophenyl)hydrazono)-

Structural Information

Molecular Formula
C9H3Br2FN4
SMILES
C1=C(C=C(C(=C1Br)NN=C(C#N)C#N)Br)F
InChI
InChI=1S/C9H3Br2FN4/c10-7-1-5(12)2-8(11)9(7)16-15-6(3-13)4-14/h1-2,16H
InChIKey
CCPDPCQUJJAYCT-UHFFFAOYSA-N
Compound name
2-[(2,6-dibromo-4-fluorophenyl)hydrazinylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.87085 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.87813 141.5
[M+Na]+ 366.86007 152.5
[M-H]- 342.86357 142.9
[M+NH4]+ 361.90467 152.5
[M+K]+ 382.83401 139.2
[M+H-H2O]+ 326.86811 135.5
[M+HCOO]- 388.86905 156.4
[M+CH3COO]- 402.88470 234.3
[M+Na-2H]- 364.84552 144.9
[M]+ 343.87030 155.5
[M]- 343.87140 155.5
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.