CID 84658849

2-(difluoromethyl)-1-benzofuran-5-amine

Structural Information

Molecular Formula
C9H7F2NO
SMILES
C1=CC2=C(C=C1N)C=C(O2)C(F)F
InChI
InChI=1S/C9H7F2NO/c10-9(11)8-4-5-3-6(12)1-2-7(5)13-8/h1-4,9H,12H2
InChIKey
YONBUJKKUQNMDI-UHFFFAOYSA-N
Compound name
2-(difluoromethyl)-1-benzofuran-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.04958 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.056856 132.1
[M+Na]+ 206.038798 142.9
[M-H]- 182.042304 135.4
[M+NH4]+ 201.083403 153.5
[M+K]+ 222.012738 140.7
[M+H-H2O]+ 166.046840 125.3
[M+HCOO]- 228.047781 155.4
[M+CH3COO]- 242.063431 183.1
[M+Na-2H]- 204.024246 138.5
[M]+ 183.04903142 131.4
[M]- 183.05012858 131.4
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.