CID 57415775

(2-chloro-5-(trifluoromethyl)pyridin-3-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C7H6ClF3N2
SMILES
C1=C(C=NC(=C1CN)Cl)C(F)(F)F
InChI
InChI=1S/C7H6ClF3N2/c8-6-4(2-12)1-5(3-13-6)7(9,10)11/h1,3H,2,12H2
InChIKey
WIRMOJILHTVRHQ-UHFFFAOYSA-N
Compound name
[2-chloro-5-(trifluoromethyl)pyridin-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

210.01717 Da
Monoisotopic Mass

1.6
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

No literature data available for this compound.

Patent stripe

patents stripe