CID 9815403

2-(2-chlorophenyl)-2-methylpropanenitrile

Structural Information

Molecular Formula
C10H10ClN
SMILES
CC(C)(C#N)C1=CC=CC=C1Cl
InChI
InChI=1S/C10H10ClN/c1-10(2,7-12)8-5-3-4-6-9(8)11/h3-6H,1-2H3
InChIKey
OLLIGTNPTVJPAX-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

179.05017 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.05745 136.9
[M+Na]+ 202.03939 150.5
[M+NH4]+ 197.08399 143.0
[M+K]+ 218.01333 140.3
[M-H]- 178.04289 132.2
[M+Na-2H]- 200.02484 142.3
[M]+ 179.04962 137.2
[M]- 179.05072 137.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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