CID 85849985

1-{6-[4-(trifluoromethoxy)phenyl]pyridin-2-yl}methanamine dihydrochloride

Structural Information

Molecular Formula
C13H11F3N2O
SMILES
C1=CC(=NC(=C1)C2=CC=C(C=C2)OC(F)(F)F)CN
InChI
InChI=1S/C13H11F3N2O/c14-13(15,16)19-11-6-4-9(5-7-11)12-3-1-2-10(8-17)18-12/h1-7H,8,17H2
InChIKey
DVMNJIWPPFYQKI-UHFFFAOYSA-N
Compound name
[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

268.08234 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08962 156.9
[M+Na]+ 291.07156 165.6
[M-H]- 267.07506 158.2
[M+NH4]+ 286.11616 171.4
[M+K]+ 307.04550 160.8
[M+H-H2O]+ 251.07960 146.2
[M+HCOO]- 313.08054 176.0
[M+CH3COO]- 327.09619 198.1
[M+Na-2H]- 289.05701 162.3
[M]+ 268.08179 152.6
[M]- 268.08289 152.6
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