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

56
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 142.1
[M+Na]+ 245.98888 155.7
[M-H]- 221.99238 147.0
[M+NH4]+ 241.03348 162.1
[M+K]+ 261.96282 144.0
[M+H-H2O]+ 205.99692 136.0
[M+HCOO]- 267.99786 161.2
[M+CH3COO]- 282.01351 198.7
[M+Na-2H]- 243.97433 149.8
[M]+ 222.99911 154.1
[M]- 223.00021 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