CID 83728143

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

Structural Information

Molecular Formula
C11H10BrNO
SMILES
COC1=C(C=C(C=C1)Br)C2(CC2)C#N
InChI
InChI=1S/C11H10BrNO/c1-14-10-3-2-8(12)6-9(10)11(7-13)4-5-11/h2-3,6H,4-5H2,1H3
InChIKey
SKGMEUYHZKVHIZ-UHFFFAOYSA-N
Compound name
1-(5-bromo-2-methoxyphenyl)cyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

250.99458 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.00186 140.0
[M+Na]+ 273.98380 146.0
[M+NH4]+ 269.02840 144.5
[M+K]+ 289.95774 142.3
[M-H]- 249.98730 141.6
[M+Na-2H]- 271.96925 146.3
[M]+ 250.99403 140.8
[M]- 250.99513 140.8
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