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

137
Patents

198.99966 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.006936 134.0
[M+Na]+ 221.988878 145.0
[M-H]- 197.992384 140.3
[M+NH4]+ 217.033483 156.7
[M+K]+ 237.962818 134.0
[M+H-H2O]+ 181.996920 133.9
[M+HCOO]- 243.997861 157.2
[M+CH3COO]- 258.013511 184.7
[M+Na-2H]- 219.974326 143.1
[M]+ 198.99911142 151.7
[M]- 199.00020858 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

No literature data available for this compound.

Patent stripe

patents stripe