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

65
Patents

210.99556 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.002836 134.1
[M+Na]+ 233.984778 152.6
[M-H]- 209.988284 142.4
[M+NH4]+ 229.029383 151.7
[M+K]+ 249.958718 143.0
[M+H-H2O]+ 193.992820 126.9
[M+HCOO]- 255.993761 148.5
[M+CH3COO]- 270.009411 148.4
[M+Na-2H]- 231.970226 142.3
[M]+ 210.99501142 135.9
[M]- 210.99610858 135.9
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