CID 16244356

(3,4-difluorophenyl)(pyridin-3-yl)methanamine

Structural Information

Molecular Formula
C12H10F2N2
SMILES
C1=CC(=CN=C1)C(C2=CC(=C(C=C2)F)F)N
InChI
InChI=1S/C12H10F2N2/c13-10-4-3-8(6-11(10)14)12(15)9-2-1-5-16-7-9/h1-7,12H,15H2
InChIKey
ODJVXCGZOSNFSS-UHFFFAOYSA-N
Compound name
(3,4-difluorophenyl)-pyridin-3-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.0812 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08848 145.4
[M+Na]+ 243.07042 153.8
[M-H]- 219.07392 148.0
[M+NH4]+ 238.11502 161.8
[M+K]+ 259.04436 149.2
[M+H-H2O]+ 203.07846 135.7
[M+HCOO]- 265.07940 166.4
[M+CH3COO]- 279.09505 191.3
[M+Na-2H]- 241.05587 150.1
[M]+ 220.08065 140.6
[M]- 220.08175 140.6
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

No patent data available for this compound.