CID 77469

3,4-difluoroaniline

Structural Information

Molecular Formula
C6H5F2N
SMILES
C1=CC(=C(C=C1N)F)F
InChI
InChI=1S/C6H5F2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2
InChIKey
AXNUZKSSQHTNPZ-UHFFFAOYSA-N
Compound name
3,4-difluoroaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

5323
Patents

129.039 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.04628 118.8
[M+Na]+ 152.02822 128.7
[M-H]- 128.03172 120.3
[M+NH4]+ 147.07282 140.9
[M+K]+ 168.00216 126.3
[M+H-H2O]+ 112.03626 112.2
[M+HCOO]- 174.03720 142.7
[M+CH3COO]- 188.05285 174.1
[M+Na-2H]- 150.01367 125.4
[M]+ 129.03845 114.4
[M]- 129.03955 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.