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

64
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 140.7
[M+Na]+ 202.03939 152.1
[M-H]- 178.04289 144.4
[M+NH4]+ 197.08399 160.0
[M+K]+ 218.01333 147.2
[M+H-H2O]+ 162.04743 130.1
[M+HCOO]- 224.04837 155.9
[M+CH3COO]- 238.06402 193.2
[M+Na-2H]- 200.02484 147.1
[M]+ 179.04962 137.6
[M]- 179.05072 137.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe