CID 83636145

3-(4-chlorophenyl)-2-methylpropanenitrile

Structural Information

Molecular Formula
C10H10ClN
SMILES
CC(CC1=CC=C(C=C1)Cl)C#N
InChI
InChI=1S/C10H10ClN/c1-8(7-12)6-9-2-4-10(11)5-3-9/h2-5,8H,6H2,1H3
InChIKey
FOBXJUZVIFQJHW-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 138.0
[M+Na]+ 202.03939 148.9
[M-H]- 178.04289 141.3
[M+NH4]+ 197.08399 157.1
[M+K]+ 218.01333 143.8
[M+H-H2O]+ 162.04743 127.0
[M+HCOO]- 224.04837 153.7
[M+CH3COO]- 238.06402 193.7
[M+Na-2H]- 200.02484 143.0
[M]+ 179.04962 134.8
[M]- 179.05072 134.8
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