CID 12273136

2-(2-bromophenyl)-2-methylpropanenitrile

Structural Information

Molecular Formula
C10H10BrN
SMILES
CC(C)(C#N)C1=CC=CC=C1Br
InChI
InChI=1S/C10H10BrN/c1-10(2,7-12)8-5-3-4-6-9(8)11/h3-6H,1-2H3
InChIKey
YTUDHLARHDCOIR-UHFFFAOYSA-N
Compound name
2-(2-bromophenyl)-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

222.99966 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.00694 142.0
[M+Na]+ 245.98888 146.2
[M+NH4]+ 241.03348 144.7
[M+K]+ 261.96282 142.6
[M-H]- 221.99238 136.7
[M+Na-2H]- 243.97433 144.3
[M]+ 222.99911 139.5
[M]- 223.00021 139.5
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