CID 2801283

4-bromo-2-ethylaniline

Structural Information

Molecular Formula
C8H10BrN
SMILES
CCC1=C(C=CC(=C1)Br)N
InChI
InChI=1S/C8H10BrN/c1-2-6-5-7(9)3-4-8(6)10/h3-5H,2,10H2,1H3
InChIKey
LGOZNQPHTIGMQJ-UHFFFAOYSA-N
Compound name
4-bromo-2-ethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

689
Patents

198.99966 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.00694 134.3
[M+Na]+ 221.98888 138.2
[M+NH4]+ 217.03348 140.1
[M+K]+ 237.96282 137.5
[M-H]- 197.99238 136.2
[M+Na-2H]- 219.97433 138.7
[M]+ 198.99911 134.3
[M]- 199.00021 134.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe