CID 20097109

3,4-difluoro-n-methylaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

268
Patents

143.05466 Da
Monoisotopic Mass

2.3
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

No literature data available for this compound.

Patent stripe

patents stripe