CID 24903089

4-bromo-2-(methylamino)benzonitrile

Structural Information

Molecular Formula
C8H7BrN2
SMILES
CNC1=C(C=CC(=C1)Br)C#N
InChI
InChI=1S/C8H7BrN2/c1-11-8-4-7(9)3-2-6(8)5-10/h2-4,11H,1H3
InChIKey
CDRZTDLGHZNPEG-UHFFFAOYSA-N
Compound name
4-bromo-2-(methylamino)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

209.97926 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.986536 133.9
[M+Na]+ 232.968478 147.6
[M-H]- 208.971984 138.8
[M+NH4]+ 228.013083 154.0
[M+K]+ 248.942418 135.9
[M+H-H2O]+ 192.976520 127.0
[M+HCOO]- 254.977461 155.6
[M+CH3COO]- 268.993111 198.3
[M+Na-2H]- 230.953926 141.8
[M]+ 209.97871142 145.2
[M]- 209.97980858 145.2
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