CID 26598381

2-bromo-4-cyano-6-methylaniline

Structural Information

Molecular Formula
C8H7BrN2
SMILES
CC1=CC(=CC(=C1N)Br)C#N
InChI
InChI=1S/C8H7BrN2/c1-5-2-6(4-10)3-7(9)8(5)11/h2-3H,11H2,1H3
InChIKey
XSTLURJCYVPCNE-UHFFFAOYSA-N
Compound name
4-amino-3-bromo-5-methylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

209.97926 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.98654 138.1
[M+Na]+ 232.96848 142.2
[M+NH4]+ 228.01308 140.6
[M+K]+ 248.94242 138.8
[M-H]- 208.97198 133.4
[M+Na-2H]- 230.95393 139.9
[M]+ 209.97871 135.6
[M]- 209.97981 135.6
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