CID 11085087

326476-49-7

Structural Information

Molecular Formula
C7H6ClF3N2
SMILES
C1=C(C=NC(=C1Cl)CN)C(F)(F)F
InChI
InChI=1S/C7H6ClF3N2/c8-5-1-4(7(9,10)11)3-13-6(5)2-12/h1,3H,2,12H2
InChIKey
JVQYWHGODHSTAM-UHFFFAOYSA-N
Compound name
[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

299
Patents

210.01717 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.02445 137.0
[M+Na]+ 233.00639 147.7
[M-H]- 209.00989 135.5
[M+NH4]+ 228.05099 155.3
[M+K]+ 248.98033 142.9
[M+H-H2O]+ 193.01443 129.3
[M+HCOO]- 255.01537 152.0
[M+CH3COO]- 269.03102 186.1
[M+Na-2H]- 230.99184 142.6
[M]+ 210.01662 133.6
[M]- 210.01772 133.6
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