CID 2530257

1-(2-bromophenyl)ethan-1-amine

Structural Information

Molecular Formula
C8H10BrN
SMILES
C[C@@H](C1=CC=CC=C1Br)N
InChI
InChI=1S/C8H10BrN/c1-6(10)7-4-2-3-5-8(7)9/h2-6H,10H2,1H3/t6-/m0/s1
InChIKey
DSAXBVQQKYZELF-LURJTMIESA-N
Compound name
(1S)-1-(2-bromophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

166
Patents

198.99966 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.00694 135.8
[M+Na]+ 221.98888 146.5
[M-H]- 197.99238 141.8
[M+NH4]+ 217.03348 158.2
[M+K]+ 237.96282 135.5
[M+H-H2O]+ 181.99692 135.8
[M+HCOO]- 243.99786 157.4
[M+CH3COO]- 258.01351 184.8
[M+Na-2H]- 219.97433 142.7
[M]+ 198.99911 151.9
[M]- 199.00021 151.9
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