CID 735528

2-bromo-4-cyano-6-methoxyphenyl acetate

Structural Information

Molecular Formula
C10H8BrNO3
SMILES
CC(=O)OC1=C(C=C(C=C1Br)C#N)OC
InChI
InChI=1S/C10H8BrNO3/c1-6(13)15-10-8(11)3-7(5-12)4-9(10)14-2/h3-4H,1-2H3
InChIKey
NNJNHFOLUWPTMF-UHFFFAOYSA-N
Compound name
(2-bromo-4-cyano-6-methoxyphenyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.96875 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.97603 146.5
[M+Na]+ 291.95797 150.2
[M+NH4]+ 287.00257 147.7
[M+K]+ 307.93191 147.8
[M-H]- 267.96147 140.2
[M+Na-2H]- 289.94342 147.2
[M]+ 268.96820 143.4
[M]- 268.96930 143.4
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.