CID 5147734

2-bromo-5-ethoxy-4-methoxybenzonitrile

Structural Information

Molecular Formula
C10H10BrNO2
SMILES
CCOC1=C(C=C(C(=C1)C#N)Br)OC
InChI
InChI=1S/C10H10BrNO2/c1-3-14-10-4-7(6-12)8(11)5-9(10)13-2/h4-5H,3H2,1-2H3
InChIKey
AFKFWWUTJQDQTI-UHFFFAOYSA-N
Compound name
2-bromo-5-ethoxy-4-methoxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.98949 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.99677 145.6
[M+Na]+ 277.97871 149.9
[M+NH4]+ 273.02331 147.5
[M+K]+ 293.95265 146.5
[M-H]- 253.98221 140.0
[M+Na-2H]- 275.96416 147.0
[M]+ 254.98894 142.9
[M]- 254.99004 142.9
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

No patent data available for this compound.