CID 10130219

2-(4-chlorophenyl)-2-methylpropanenitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

179.05017 Da
Monoisotopic Mass

3.1
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

No literature data available for this compound.

Patent stripe

patents stripe