CID 14033035

5-(bromomethyl)-2-chlorobenzonitrile

Structural Information

Molecular Formula
C8H5BrClN
SMILES
C1=CC(=C(C=C1CBr)C#N)Cl
InChI
InChI=1S/C8H5BrClN/c9-4-6-1-2-8(10)7(3-6)5-11/h1-3H,4H2
InChIKey
YHKXYWAZCJAGKK-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-2-chlorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

228.9294 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.93668 137.2
[M+Na]+ 251.91862 143.0
[M+NH4]+ 246.96322 140.6
[M+K]+ 267.89256 138.4
[M-H]- 227.92212 132.6
[M+Na-2H]- 249.90407 140.1
[M]+ 228.92885 135.4
[M]- 228.92995 135.4
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