CID 86634700

1378685-83-6

Structural Information

Molecular Formula
C7H8ClFN2
SMILES
CNCC1=CC(=C(N=C1)Cl)F
InChI
InChI=1S/C7H8ClFN2/c1-10-3-5-2-6(9)7(8)11-4-5/h2,4,10H,3H2,1H3
InChIKey
SIUWTEVZCCYNCZ-UHFFFAOYSA-N
Compound name
1-(6-chloro-5-fluoropyridin-3-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

174.03601 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.04329 131.2
[M+Na]+ 197.02523 141.2
[M-H]- 173.02873 132.5
[M+NH4]+ 192.06983 151.2
[M+K]+ 212.99917 137.3
[M+H-H2O]+ 157.03327 124.8
[M+HCOO]- 219.03421 150.4
[M+CH3COO]- 233.04986 181.5
[M+Na-2H]- 195.01068 138.3
[M]+ 174.03546 131.6
[M]- 174.03656 131.6
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