CID 4570375

2-bromo-4-ethoxy-5-methoxybenzonitrile

Structural Information

Molecular Formula
C10H10BrNO2
SMILES
CCOC1=C(C=C(C(=C1)Br)C#N)OC
InChI
InChI=1S/C10H10BrNO2/c1-3-14-10-5-8(11)7(6-12)4-9(10)13-2/h4-5H,3H2,1-2H3
InChIKey
DQVRTBPRKJRONY-UHFFFAOYSA-N
Compound name
2-bromo-4-ethoxy-5-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 140.7
[M+Na]+ 277.97871 155.1
[M-H]- 253.98221 145.8
[M+NH4]+ 273.02331 159.9
[M+K]+ 293.95265 144.3
[M+H-H2O]+ 237.98675 134.1
[M+HCOO]- 299.98769 161.6
[M+CH3COO]- 314.00334 203.6
[M+Na-2H]- 275.96416 147.2
[M]+ 254.98894 156.2
[M]- 254.99004 156.2
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.