CID 457611

[(3,5-difluorophenyl)methyl](methyl)amine

Structural Information

Molecular Formula
C8H9F2N
SMILES
CNCC1=CC(=CC(=C1)F)F
InChI
InChI=1S/C8H9F2N/c1-11-5-6-2-7(9)4-8(10)3-6/h2-4,11H,5H2,1H3
InChIKey
PAVCYIWPONYGCE-UHFFFAOYSA-N
Compound name
1-(3,5-difluorophenyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

138
Patents

157.07031 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.077586 127.7
[M+Na]+ 180.059528 136.7
[M-H]- 156.063034 129.3
[M+NH4]+ 175.104133 148.9
[M+K]+ 196.033468 134.1
[M+H-H2O]+ 140.067570 120.5
[M+HCOO]- 202.068511 151.5
[M+CH3COO]- 216.084161 180.9
[M+Na-2H]- 178.044976 134.2
[M]+ 157.06976142 124.9
[M]- 157.07085858 124.9
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