CID 7022291

2-bromo-4-(2-hydroxyethoxy)-5-methoxybenzonitrile

Structural Information

Molecular Formula
C10H10BrNO3
SMILES
COC1=C(C=C(C(=C1)C#N)Br)OCCO
InChI
InChI=1S/C10H10BrNO3/c1-14-9-4-7(6-12)8(11)5-10(9)15-3-2-13/h4-5,13H,2-3H2,1H3
InChIKey
IEYASXGZDIWRMO-UHFFFAOYSA-N
Compound name
2-bromo-4-(2-hydroxyethoxy)-5-methoxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

632
Patents

270.9844 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.99168 144.4
[M+Na]+ 293.97362 158.1
[M-H]- 269.97712 148.1
[M+NH4]+ 289.01822 162.2
[M+K]+ 309.94756 147.1
[M+H-H2O]+ 253.98166 137.5
[M+HCOO]- 315.98260 164.0
[M+CH3COO]- 329.99825 203.1
[M+Na-2H]- 291.95907 150.3
[M]+ 270.98385 159.3
[M]- 270.98495 159.3
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