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-fluoro-3-pyridinyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

174.03601 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.043286 131.2
[M+Na]+ 197.025228 141.2
[M-H]- 173.028734 132.5
[M+NH4]+ 192.069833 151.2
[M+K]+ 212.999168 137.3
[M+H-H2O]+ 157.033270 124.8
[M+HCOO]- 219.034211 150.4
[M+CH3COO]- 233.049861 181.5
[M+Na-2H]- 195.010676 138.3
[M]+ 174.03546142 131.6
[M]- 174.03655858 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