CID 117279687

7-fluorobenzo[d][1,3]dioxole-5-carboxylic acid

Structural Information

Molecular Formula
C8H5FO4
SMILES
C1OC2=C(O1)C(=CC(=C2)C(=O)O)F
InChI
InChI=1S/C8H5FO4/c9-5-1-4(8(10)11)2-6-7(5)13-3-12-6/h1-2H,3H2,(H,10,11)
InChIKey
KKSOGNAXQWLNKF-UHFFFAOYSA-N
Compound name
7-fluoro-1,3-benzodioxole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.01718 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.02446 131.1
[M+Na]+ 207.00640 140.8
[M-H]- 183.00990 135.0
[M+NH4]+ 202.05100 150.6
[M+K]+ 222.98034 141.1
[M+H-H2O]+ 167.01444 126.0
[M+HCOO]- 229.01538 150.9
[M+CH3COO]- 243.03103 176.9
[M+Na-2H]- 204.99185 137.9
[M]+ 184.01663 132.3
[M]- 184.01773 132.3
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.