CID 21504833

2-amino-4-bromo-6-methylbenzonitrile

Structural Information

Molecular Formula
C8H7BrN2
SMILES
CC1=CC(=CC(=C1C#N)N)Br
InChI
InChI=1S/C8H7BrN2/c1-5-2-6(9)3-8(11)7(5)4-10/h2-3H,11H2,1H3
InChIKey
SDBDPKMBWZFWOM-UHFFFAOYSA-N
Compound name
2-amino-4-bromo-6-methylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

209.97926 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.98654 134.7
[M+Na]+ 232.96848 149.1
[M-H]- 208.97198 139.5
[M+NH4]+ 228.01308 154.8
[M+K]+ 248.94242 137.3
[M+H-H2O]+ 192.97652 128.0
[M+HCOO]- 254.97746 155.9
[M+CH3COO]- 268.99311 198.7
[M+Na-2H]- 230.95393 141.0
[M]+ 209.97871 145.5
[M]- 209.97981 145.5
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