CID 44754868

2-chloro-5-fluoropyridin-3-amine

Structural Information

Molecular Formula
C5H4ClFN2
SMILES
C1=C(C=NC(=C1N)Cl)F
InChI
InChI=1S/C5H4ClFN2/c6-5-4(8)1-3(7)2-9-5/h1-2H,8H2
InChIKey
MSCZFRUXABFTJN-UHFFFAOYSA-N
Compound name
2-chloro-5-fluoropyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

146.0047 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.011976 122.3
[M+Na]+ 168.993918 133.3
[M-H]- 144.997424 123.5
[M+NH4]+ 164.038523 143.2
[M+K]+ 184.967858 129.4
[M+H-H2O]+ 129.001960 116.4
[M+HCOO]- 191.002901 141.6
[M+CH3COO]- 205.018551 174.8
[M+Na-2H]- 166.979366 129.5
[M]+ 146.00415142 121.0
[M]- 146.00524858 121.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe