CID 3402335

2211-82-7

Structural Information

Molecular Formula
C8H5FO2
SMILES
C1C2=C(C(=CC=C2)F)C(=O)O1
InChI
InChI=1S/C8H5FO2/c9-6-3-1-2-5-4-11-8(10)7(5)6/h1-3H,4H2
InChIKey
JVYFQQBVHWETHD-UHFFFAOYSA-N
Compound name
7-fluoro-3H-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

152.02736 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.034636 123.6
[M+Na]+ 175.016578 134.1
[M-H]- 151.020084 128.2
[M+NH4]+ 170.061183 146.7
[M+K]+ 190.990518 132.9
[M+H-H2O]+ 135.024620 118.3
[M+HCOO]- 197.025561 146.5
[M+CH3COO]- 211.041211 174.1
[M+Na-2H]- 173.002026 131.2
[M]+ 152.02681142 123.7
[M]- 152.02790858 123.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe