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

128
Patents

146.0047 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.01198 122.3
[M+Na]+ 168.99392 133.3
[M-H]- 144.99742 123.5
[M+NH4]+ 164.03852 143.2
[M+K]+ 184.96786 129.4
[M+H-H2O]+ 129.00196 116.4
[M+HCOO]- 191.00290 141.6
[M+CH3COO]- 205.01855 174.8
[M+Na-2H]- 166.97937 129.5
[M]+ 146.00415 121.0
[M]- 146.00525 121.1
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