CID 43234436

N-methyl-2,3-difluorobenzylamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

157.07031 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.07759 131.3
[M+Na]+ 180.05953 142.7
[M+NH4]+ 175.10413 139.3
[M+K]+ 196.03347 135.9
[M-H]- 156.06303 131.8
[M+Na-2H]- 178.04498 137.8
[M]+ 157.06976 132.9
[M]- 157.07086 132.9
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