CID 118295493

3-fluoro-2-(trifluoromethyl)pyridin-4-amine hydrochloride

Structural Information

Molecular Formula
C6H4F4N2
SMILES
C1=CN=C(C(=C1N)F)C(F)(F)F
InChI
InChI=1S/C6H4F4N2/c7-4-3(11)1-2-12-5(4)6(8,9)10/h1-2H,(H2,11,12)
InChIKey
HEAQBXCQTUHEHW-UHFFFAOYSA-N
Compound name
3-fluoro-2-(trifluoromethyl)pyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

180.03107 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.03835 129.9
[M+Na]+ 203.02029 140.3
[M-H]- 179.02379 127.3
[M+NH4]+ 198.06489 148.4
[M+K]+ 218.99423 137.2
[M+H-H2O]+ 163.02833 120.7
[M+HCOO]- 225.02927 148.6
[M+CH3COO]- 239.04492 182.1
[M+Na-2H]- 201.00574 135.8
[M]+ 180.03052 122.8
[M]- 180.03162 122.8
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