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]+ 232.013166 142.1
[M+Na]+ 253.995108 153.5
[M-H]- 229.998614 147.2
[M+NH4]+ 249.039713 163.7
[M+K]+ 269.969048 141.8
[M+H-H2O]+ 214.003150 140.9
[M+HCOO]- 276.004091 163.9
[M+CH3COO]- 290.019741 191.1
[M+Na-2H]- 251.980556 149.3
[M]+ 231.00534142 159.3
[M]- 231.00643858 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