CID 16771422

[(3,4-difluorophenyl)methyl](methyl)amine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

147
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

No literature data available for this compound.

Patent stripe

patents stripe