CID 72214547

1-(6-bromo-5-fluoropyridin-3-yl)methanamine dihydrochloride

Structural Information

Molecular Formula
C6H6BrFN2
SMILES
C1=C(C=NC(=C1F)Br)CN
InChI
InChI=1S/C6H6BrFN2/c7-6-5(8)1-4(2-9)3-10-6/h1,3H,2,9H2
InChIKey
RHTYKMDQYZWTFG-UHFFFAOYSA-N
Compound name
(6-bromo-5-fluoropyridin-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.96983 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.97711 132.1
[M+Na]+ 226.95905 144.8
[M-H]- 202.96255 135.9
[M+NH4]+ 222.00365 153.3
[M+K]+ 242.93299 133.2
[M+H-H2O]+ 186.96709 130.8
[M+HCOO]- 248.96803 153.1
[M+CH3COO]- 262.98368 184.4
[M+Na-2H]- 224.94450 140.1
[M]+ 203.96928 147.9
[M]- 203.97038 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.