CID 20479387

2,4-difluoro-6-methylaniline

Structural Information

Molecular Formula
C7H7F2N
SMILES
CC1=CC(=CC(=C1N)F)F
InChI
InChI=1S/C7H7F2N/c1-4-2-5(8)3-6(9)7(4)10/h2-3H,10H2,1H3
InChIKey
YOUATWOIMFYCAR-UHFFFAOYSA-N
Compound name
2,4-difluoro-6-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

143.05466 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.061936 123.3
[M+Na]+ 166.043878 133.6
[M-H]- 142.047384 124.9
[M+NH4]+ 161.088483 145.1
[M+K]+ 182.017818 131.0
[M+H-H2O]+ 126.051920 116.6
[M+HCOO]- 188.052861 146.8
[M+CH3COO]- 202.068511 178.3
[M+Na-2H]- 164.029326 128.6
[M]+ 143.05411142 119.5
[M]- 143.05520858 119.5
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