CID 15843

Bromo(p-chlorobenzyl)malononitrile

Structural Information

Molecular Formula
C10H6BrClN2
SMILES
C1=CC(=CC=C1C(C(C#N)C#N)Br)Cl
InChI
InChI=1S/C10H6BrClN2/c11-10(8(5-13)6-14)7-1-3-9(12)4-2-7/h1-4,8,10H
InChIKey
UGPICLLOZZBYCY-UHFFFAOYSA-N
Compound name
2-[bromo-(4-chlorophenyl)methyl]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.94028 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.947556 154.9
[M+Na]+ 290.929498 168.1
[M-H]- 266.933004 158.3
[M+NH4]+ 285.974103 168.7
[M+K]+ 306.903438 156.3
[M+H-H2O]+ 250.937540 144.8
[M+HCOO]- 312.938481 166.0
[M+CH3COO]- 326.954131 221.3
[M+Na-2H]- 288.914946 157.4
[M]+ 267.93973142 159.9
[M]- 267.94082858 159.9
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.