CID 18070880

[(5-bromo-2-fluorophenyl)methyl](ethyl)amine hydrochloride

Structural Information

Molecular Formula
C9H11BrFN
SMILES
CCNCC1=C(C=CC(=C1)Br)F
InChI
InChI=1S/C9H11BrFN/c1-2-12-6-7-5-8(10)3-4-9(7)11/h3-5,12H,2,6H2,1H3
InChIKey
UBUGKRWECJFDHP-UHFFFAOYSA-N
Compound name
N-[(5-bromo-2-fluorophenyl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

231.00589 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.01317 142.1
[M+Na]+ 253.99511 153.5
[M-H]- 229.99861 147.2
[M+NH4]+ 249.03971 163.7
[M+K]+ 269.96905 141.8
[M+H-H2O]+ 214.00315 140.9
[M+HCOO]- 276.00409 163.9
[M+CH3COO]- 290.01974 191.1
[M+Na-2H]- 251.98056 149.3
[M]+ 231.00534 159.3
[M]- 231.00644 159.3
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