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

3723
Patents

129.039 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.046276 118.8
[M+Na]+ 152.028218 128.7
[M-H]- 128.031724 120.3
[M+NH4]+ 147.072823 140.9
[M+K]+ 168.002158 126.3
[M+H-H2O]+ 112.036260 112.2
[M+HCOO]- 174.037201 142.7
[M+CH3COO]- 188.052851 174.1
[M+Na-2H]- 150.013666 125.4
[M]+ 129.03845142 114.4
[M]- 129.03954858 114.4
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