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]+ 184.05686 132.1
[M+Na]+ 206.03880 142.9
[M-H]- 182.04230 135.4
[M+NH4]+ 201.08340 153.5
[M+K]+ 222.01274 140.7
[M+H-H2O]+ 166.04684 125.3
[M+HCOO]- 228.04778 155.4
[M+CH3COO]- 242.06343 183.1
[M+Na-2H]- 204.02425 138.5
[M]+ 183.04903 131.4
[M]- 183.05013 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.