CID 15185681

2-bromo-2-(4-chlorophenyl)acetonitrile

Structural Information

Molecular Formula
C8H5BrClN
SMILES
C1=CC(=CC=C1C(C#N)Br)Cl
InChI
InChI=1S/C8H5BrClN/c9-8(5-11)6-1-3-7(10)4-2-6/h1-4,8H
InChIKey
AKYZXEVLLDNHDZ-UHFFFAOYSA-N
Compound name
2-bromo-2-(4-chlorophenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

228.9294 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.936676 136.5
[M+Na]+ 251.918618 151.4
[M-H]- 227.922124 141.4
[M+NH4]+ 246.963223 157.0
[M+K]+ 267.892558 138.1
[M+H-H2O]+ 211.926660 131.2
[M+HCOO]- 273.927601 152.9
[M+CH3COO]- 287.943251 197.2
[M+Na-2H]- 249.904066 143.6
[M]+ 228.92885142 149.5
[M]- 228.92994858 149.5
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

patents stripe