CID 2737023

2,4-difluoro-n-methylaniline

Structural Information

Molecular Formula
C7H7F2N
SMILES
CNC1=C(C=C(C=C1)F)F
InChI
InChI=1S/C7H7F2N/c1-10-7-3-2-5(8)4-6(7)9/h2-4,10H,1H3
InChIKey
RPGDVPAENGWKAO-UHFFFAOYSA-N
Compound name
2,4-difluoro-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

502
Patents

143.05466 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.06194 126.8
[M+Na]+ 166.04388 138.4
[M+NH4]+ 161.08848 135.0
[M+K]+ 182.01782 131.8
[M-H]- 142.04738 127.4
[M+Na-2H]- 164.02933 133.6
[M]+ 143.05411 128.5
[M]- 143.05521 128.5
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