CID 84672834

1-(3-bromo-5-fluoropyridin-4-yl)methanamine dihydrochloride

Structural Information

Molecular Formula
C6H6BrFN2
SMILES
C1=C(C(=C(C=N1)Br)CN)F
InChI
InChI=1S/C6H6BrFN2/c7-5-2-10-3-6(8)4(5)1-9/h2-3H,1,9H2
InChIKey
FWQSCBYOWNHKPB-UHFFFAOYSA-N
Compound name
(3-bromo-5-fluoro-4-pyridinyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.96983 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.977106 132.1
[M+Na]+ 226.959048 144.8
[M-H]- 202.962554 135.9
[M+NH4]+ 222.003653 153.3
[M+K]+ 242.932988 133.2
[M+H-H2O]+ 186.967090 130.8
[M+HCOO]- 248.968031 153.1
[M+CH3COO]- 262.983681 184.4
[M+Na-2H]- 224.944496 140.1
[M]+ 203.96928142 147.9
[M]- 203.97037858 147.9
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.