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]+ 184.040446 131.8
[M+Na]+ 206.022388 140.5
[M-H]- 182.025894 136.2
[M+NH4]+ 201.066993 152.6
[M+K]+ 221.996328 135.6
[M+H-H2O]+ 166.030430 130.7
[M+HCOO]- 228.031371 155.3
[M+CH3COO]- 242.047021 174.5
[M+Na-2H]- 204.007836 140.5
[M]+ 183.03262142 130.1
[M]- 183.03371858 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