CID 83086819

2-bromo-2-(4-bromo-3-methylphenyl)acetonitrile

Structural Information

Molecular Formula
C9H7Br2N
SMILES
CC1=C(C=CC(=C1)C(C#N)Br)Br
InChI
InChI=1S/C9H7Br2N/c1-6-4-7(9(11)5-12)2-3-8(6)10/h2-4,9H,1H3
InChIKey
UPPMUYRZDHBOBC-UHFFFAOYSA-N
Compound name
2-bromo-2-(4-bromo-3-methylphenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.89453 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.90181 131.4
[M+Na]+ 309.88375 144.5
[M-H]- 285.88725 135.7
[M+NH4]+ 304.92835 149.2
[M+K]+ 325.85769 128.6
[M+H-H2O]+ 269.89179 133.2
[M+HCOO]- 331.89273 148.5
[M+CH3COO]- 345.90838 212.0
[M+Na-2H]- 307.86920 138.1
[M]+ 286.89398 157.9
[M]- 286.89508 157.9
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

No patent data available for this compound.