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 145.3
[M+Na]+ 273.98380 165.2
[M-H]- 249.98730 155.4
[M+NH4]+ 269.02840 163.6
[M+K]+ 289.95774 150.6
[M+H-H2O]+ 233.99184 141.7
[M+HCOO]- 295.99278 167.5
[M+CH3COO]- 310.00843 204.1
[M+Na-2H]- 271.96925 154.3
[M]+ 250.99403 162.1
[M]- 250.99513 162.1
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