CID 58412327

2-(4-(bromomethyl)phenyl)-2-methylpropanenitrile

Structural Information

Molecular Formula
C11H12BrN
SMILES
CC(C)(C#N)C1=CC=C(C=C1)CBr
InChI
InChI=1S/C11H12BrN/c1-11(2,8-13)10-5-3-9(7-12)4-6-10/h3-6H,7H2,1-2H3
InChIKey
VSTXAWAMUHWZBE-UHFFFAOYSA-N
Compound name
2-[4-(bromomethyl)phenyl]-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

237.0153 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.02258 146.1
[M+Na]+ 260.00452 150.2
[M+NH4]+ 255.04912 148.6
[M+K]+ 275.97846 146.3
[M-H]- 236.00802 140.8
[M+Na-2H]- 257.98997 148.2
[M]+ 237.01475 143.6
[M]- 237.01585 143.6
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