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

3
Patents

223.9949 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.00218 137.9
[M+Na]+ 246.98412 151.3
[M-H]- 222.98762 143.8
[M+NH4]+ 242.02872 158.0
[M+K]+ 262.95806 140.6
[M+H-H2O]+ 206.99216 130.6
[M+HCOO]- 268.99310 159.7
[M+CH3COO]- 283.00875 203.7
[M+Na-2H]- 244.96957 144.7
[M]+ 223.99435 150.5
[M]- 223.99545 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