CID 177797960

3017193-10-8

Structural Information

Molecular Formula
C7H8BrFN2
SMILES
CNCC1=C(C(=NC=C1)Br)F
InChI
InChI=1S/C7H8BrFN2/c1-10-4-5-2-3-11-7(8)6(5)9/h2-3,10H,4H2,1H3
InChIKey
OPYWYFYFQFQHHS-UHFFFAOYSA-N
Compound name
1-(2-bromo-3-fluoro-4-pyridinyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.98549 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.992766 135.8
[M+Na]+ 240.974708 148.1
[M-H]- 216.978214 139.9
[M+NH4]+ 236.019313 156.7
[M+K]+ 256.948648 136.7
[M+H-H2O]+ 200.982750 134.3
[M+HCOO]- 262.983691 157.1
[M+CH3COO]- 276.999341 187.9
[M+Na-2H]- 238.960156 144.3
[M]+ 217.98494142 153.0
[M]- 217.98603858 153.0
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.