CID 117654055

6-fluoro-5-nitro-2,3-dihydro-1-benzofuran

Structural Information

Molecular Formula
C8H6FNO3
SMILES
C1COC2=CC(=C(C=C21)[N+](=O)[O-])F
InChI
InChI=1S/C8H6FNO3/c9-6-4-8-5(1-2-13-8)3-7(6)10(11)12/h3-4H,1-2H2
InChIKey
UGWJNBKNRIGFEM-UHFFFAOYSA-N
Compound name
6-fluoro-5-nitro-2,3-dihydro-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

183.03317 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.04045 131.8
[M+Na]+ 206.02239 140.5
[M-H]- 182.02589 136.2
[M+NH4]+ 201.06699 152.6
[M+K]+ 221.99633 135.6
[M+H-H2O]+ 166.03043 130.7
[M+HCOO]- 228.03137 155.3
[M+CH3COO]- 242.04702 174.5
[M+Na-2H]- 204.00784 140.5
[M]+ 183.03262 130.1
[M]- 183.03372 130.1
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

patents stripe