CID 99770342

1-(2-bromo-5-fluoro-4-methoxyphenyl)methanamine hydrochloride

Structural Information

Molecular Formula
C8H9BrFNO
SMILES
COC1=C(C=C(C(=C1)Br)CN)F
InChI
InChI=1S/C8H9BrFNO/c1-12-8-3-6(9)5(4-11)2-7(8)10/h2-3H,4,11H2,1H3
InChIKey
MWESMYXRFXRZBD-UHFFFAOYSA-N
Compound name
(2-bromo-5-fluoro-4-methoxyphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.98515 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.99243 140.8
[M+Na]+ 255.97437 153.3
[M-H]- 231.97787 145.9
[M+NH4]+ 251.01897 162.3
[M+K]+ 271.94831 141.9
[M+H-H2O]+ 215.98241 139.7
[M+HCOO]- 277.98335 162.4
[M+CH3COO]- 291.99900 190.6
[M+Na-2H]- 253.95982 146.7
[M]+ 232.98460 158.3
[M]- 232.98570 158.3
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

No patent data available for this compound.