CID 11745656

4-bromo-n-ethylaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

289
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 134.0
[M+Na]+ 221.98888 145.0
[M-H]- 197.99238 140.3
[M+NH4]+ 217.03348 156.7
[M+K]+ 237.96282 134.0
[M+H-H2O]+ 181.99692 133.9
[M+HCOO]- 243.99786 157.2
[M+CH3COO]- 258.01351 184.7
[M+Na-2H]- 219.97433 143.1
[M]+ 198.99911 151.7
[M]- 199.00021 151.7
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