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

29
Patents

228.9294 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.93668 136.5
[M+Na]+ 251.91862 151.4
[M-H]- 227.92212 141.4
[M+NH4]+ 246.96322 157.0
[M+K]+ 267.89256 138.1
[M+H-H2O]+ 211.92666 131.2
[M+HCOO]- 273.92760 152.9
[M+CH3COO]- 287.94325 197.2
[M+Na-2H]- 249.90407 143.6
[M]+ 228.92885 149.5
[M]- 228.92995 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