CID 43119039

1-(5-chloro-2-methoxyphenyl)cyclopropane-1-carbonitrile

Structural Information

Molecular Formula
C11H10ClNO
SMILES
COC1=C(C=C(C=C1)Cl)C2(CC2)C#N
InChI
InChI=1S/C11H10ClNO/c1-14-10-3-2-8(12)6-9(10)11(7-13)4-5-11/h2-3,6H,4-5H2,1H3
InChIKey
WGAFZNHDXNWIFK-UHFFFAOYSA-N
Compound name
1-(5-chloro-2-methoxyphenyl)cyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.04509 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.05237 137.4
[M+Na]+ 230.03431 155.4
[M-H]- 206.03781 146.5
[M+NH4]+ 225.07891 154.9
[M+K]+ 246.00825 147.2
[M+H-H2O]+ 190.04235 129.4
[M+HCOO]- 252.04329 156.1
[M+CH3COO]- 266.05894 199.1
[M+Na-2H]- 228.01976 145.8
[M]+ 207.04454 140.0
[M]- 207.04564 140.0
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

No patent data available for this compound.