CID 1268258

1-(2,4-dichlorophenyl)cyclopropanecarbonitrile

Structural Information

Molecular Formula
C10H7Cl2N
SMILES
C1CC1(C#N)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C10H7Cl2N/c11-7-1-2-8(9(12)5-7)10(6-13)3-4-10/h1-2,5H,3-4H2
InChIKey
VDKKBWVLLSVWKI-UHFFFAOYSA-N
Compound name
1-(2,4-dichlorophenyl)cyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

210.99556 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.00284 136.1
[M+Na]+ 233.98478 151.9
[M+NH4]+ 229.02938 144.6
[M+K]+ 249.95872 141.2
[M-H]- 209.98828 139.4
[M+Na-2H]- 231.97023 146.0
[M]+ 210.99501 140.3
[M]- 210.99611 140.3
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