CID 79647

2,6-difluoroaniline

Structural Information

Molecular Formula
C6H5F2N
SMILES
C1=CC(=C(C(=C1)F)N)F
InChI
InChI=1S/C6H5F2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2
InChIKey
ODUZJBKKYBQIBX-UHFFFAOYSA-N
Compound name
2,6-difluoroaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

3681
Patents

129.039 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.04628 122.3
[M+Na]+ 152.02822 133.8
[M+NH4]+ 147.07282 130.4
[M+K]+ 168.00216 127.6
[M-H]- 128.03172 122.7
[M+Na-2H]- 150.01367 128.9
[M]+ 129.03845 123.8
[M]- 129.03955 123.8
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