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

73
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 134.1
[M+Na]+ 233.98478 152.6
[M-H]- 209.98828 142.4
[M+NH4]+ 229.02938 151.7
[M+K]+ 249.95872 143.0
[M+H-H2O]+ 193.99282 126.9
[M+HCOO]- 255.99376 148.5
[M+CH3COO]- 270.00941 148.4
[M+Na-2H]- 231.97023 142.3
[M]+ 210.99501 135.9
[M]- 210.99611 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