CID 10513294

2-(3-bromophenyl)-2-methylpropanenitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

190
Patents

222.99966 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.006936 142.1
[M+Na]+ 245.988878 155.7
[M-H]- 221.992384 147.0
[M+NH4]+ 241.033483 162.1
[M+K]+ 261.962818 144.0
[M+H-H2O]+ 205.996920 136.0
[M+HCOO]- 267.997861 161.2
[M+CH3COO]- 282.013511 198.7
[M+Na-2H]- 243.974326 149.8
[M]+ 222.99911142 154.1
[M]- 223.00020858 154.1
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