CID 21864680

3-bromo-n-ethylaniline hydrochloride

Structural Information

Molecular Formula
C8H10BrN
SMILES
CCNC1=CC(=CC=C1)Br
InChI
InChI=1S/C8H10BrN/c1-2-10-8-5-3-4-7(9)6-8/h3-6,10H,2H2,1H3
InChIKey
KBCJPWUCWTXJEW-UHFFFAOYSA-N
Compound name
3-bromo-N-ethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

198.99966 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.00694 134.5
[M+Na]+ 221.98888 138.3
[M+NH4]+ 217.03348 140.5
[M+K]+ 237.96282 137.2
[M-H]- 197.99238 136.5
[M+Na-2H]- 219.97433 139.5
[M]+ 198.99911 134.5
[M]- 199.00021 134.5
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