CID 16720377

3,5-difluoro-n-methylaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

196
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 123.0
[M+Na]+ 166.04388 132.4
[M-H]- 142.04738 124.7
[M+NH4]+ 161.08848 144.7
[M+K]+ 182.01782 130.1
[M+H-H2O]+ 126.05192 116.0
[M+HCOO]- 188.05286 147.1
[M+CH3COO]- 202.06851 177.8
[M+Na-2H]- 164.02933 130.1
[M]+ 143.05411 119.8
[M]- 143.05521 119.8
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