CID 15557526

2-bromo-2-(4-methoxyphenyl)acetonitrile

Structural Information

Molecular Formula
C9H8BrNO
SMILES
COC1=CC=C(C=C1)C(C#N)Br
InChI
InChI=1S/C9H8BrNO/c1-12-8-4-2-7(3-5-8)9(10)6-11/h2-5,9H,1H3
InChIKey
UMNFYLUEMMQTIP-UHFFFAOYSA-N
Compound name
2-bromo-2-(4-methoxyphenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

224.97893 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.986206 137.6
[M+Na]+ 247.968148 150.9
[M-H]- 223.971654 142.3
[M+NH4]+ 243.012753 157.3
[M+K]+ 263.942088 139.9
[M+H-H2O]+ 207.976190 131.0
[M+HCOO]- 269.977131 157.7
[M+CH3COO]- 283.992781 198.2
[M+Na-2H]- 245.953596 144.5
[M]+ 224.97838142 150.4
[M]- 224.97947858 150.4
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

patents stripe