CID 28476794

1021109-39-6

Structural Information

Molecular Formula
C11H9F2NO
SMILES
C1=COC(=C1)CNC2=C(C=C(C=C2)F)F
InChI
InChI=1S/C11H9F2NO/c12-8-3-4-11(10(13)6-8)14-7-9-2-1-5-15-9/h1-6,14H,7H2
InChIKey
OALIULUYNXPDDL-UHFFFAOYSA-N
Compound name
2,4-difluoro-N-(furan-2-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.06522 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07250 140.1
[M+Na]+ 232.05444 149.1
[M-H]- 208.05794 145.4
[M+NH4]+ 227.09904 159.2
[M+K]+ 248.02838 146.6
[M+H-H2O]+ 192.06248 132.0
[M+HCOO]- 254.06342 164.5
[M+CH3COO]- 268.07907 187.4
[M+Na-2H]- 230.03989 145.9
[M]+ 209.06467 138.8
[M]- 209.06577 138.8
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

No patent data available for this compound.