CID 84766172

1785407-17-1

Structural Information

Molecular Formula
C8H10F2N2
SMILES
CC(C1=NC=CC(=C1)CN)(F)F
InChI
InChI=1S/C8H10F2N2/c1-8(9,10)7-4-6(5-11)2-3-12-7/h2-4H,5,11H2,1H3
InChIKey
HWXXBSANKZYYRC-UHFFFAOYSA-N
Compound name
[2-(1,1-difluoroethyl)-4-pyridinyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

172.0812 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.088476 133.7
[M+Na]+ 195.070418 142.3
[M-H]- 171.073924 133.2
[M+NH4]+ 190.115023 152.5
[M+K]+ 211.044358 139.5
[M+H-H2O]+ 155.078460 125.9
[M+HCOO]- 217.079401 154.0
[M+CH3COO]- 231.095051 182.0
[M+Na-2H]- 193.055866 140.5
[M]+ 172.08065142 129.6
[M]- 172.08174858 129.6
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