CID 21258442

2-(3,4-dichlorophenyl)-2-methylpropanenitrile

Structural Information

Molecular Formula
C10H9Cl2N
SMILES
CC(C)(C#N)C1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C10H9Cl2N/c1-10(2,6-13)7-3-4-8(11)9(12)5-7/h3-5H,1-2H3
InChIKey
YRQZPEHIUCAMMP-UHFFFAOYSA-N
Compound name
2-(3,4-dichlorophenyl)-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

213.0112 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.01848 146.5
[M+Na]+ 236.00042 159.1
[M-H]- 212.00392 149.9
[M+NH4]+ 231.04502 165.2
[M+K]+ 251.97436 152.8
[M+H-H2O]+ 196.00846 136.8
[M+HCOO]- 258.00940 157.1
[M+CH3COO]- 272.02505 198.4
[M+Na-2H]- 233.98587 151.5
[M]+ 213.01065 144.7
[M]- 213.01175 144.7
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