CID 57927000

2-bromo-4-(dimethylamino)benzonitrile

Structural Information

Molecular Formula
C9H9BrN2
SMILES
CN(C)C1=CC(=C(C=C1)C#N)Br
InChI
InChI=1S/C9H9BrN2/c1-12(2)8-4-3-7(6-11)9(10)5-8/h3-5H,1-2H3
InChIKey
SXAHEWNAHQTFLP-UHFFFAOYSA-N
Compound name
2-bromo-4-(dimethylamino)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

223.9949 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.002176 137.9
[M+Na]+ 246.984118 151.3
[M-H]- 222.987624 143.8
[M+NH4]+ 242.028723 158.0
[M+K]+ 262.958058 140.6
[M+H-H2O]+ 206.992160 130.6
[M+HCOO]- 268.993101 159.7
[M+CH3COO]- 283.008751 203.7
[M+Na-2H]- 244.969566 144.7
[M]+ 223.99435142 150.5
[M]- 223.99544858 150.5
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