CID 90102925

2-(5-chloro-3-fluoropyridin-2-yl)-2-methylpropan-1-amine

Structural Information

Molecular Formula
C9H12ClFN2
SMILES
CC(C)(CN)C1=C(C=C(C=N1)Cl)F
InChI
InChI=1S/C9H12ClFN2/c1-9(2,5-12)8-7(11)3-6(10)4-13-8/h3-4H,5,12H2,1-2H3
InChIKey
QEEQYIAHCCIEQP-UHFFFAOYSA-N
Compound name
2-(5-chloro-3-fluoropyridin-2-yl)-2-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

202.0673 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.07458 141.8
[M+Na]+ 225.05652 151.5
[M-H]- 201.06002 142.7
[M+NH4]+ 220.10112 160.6
[M+K]+ 241.03046 147.0
[M+H-H2O]+ 185.06456 135.6
[M+HCOO]- 247.06550 158.2
[M+CH3COO]- 261.08115 187.2
[M+Na-2H]- 223.04197 147.4
[M]+ 202.06675 141.5
[M]- 202.06785 141.5
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