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]+ 268.94756 154.9
[M+Na]+ 290.92950 168.1
[M-H]- 266.93300 158.3
[M+NH4]+ 285.97410 168.7
[M+K]+ 306.90344 156.3
[M+H-H2O]+ 250.93754 144.8
[M+HCOO]- 312.93848 166.0
[M+CH3COO]- 326.95413 221.3
[M+Na-2H]- 288.91495 157.4
[M]+ 267.93973 159.9
[M]- 267.94083 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.