CID 24695949

929341-31-1

Structural Information

Molecular Formula
C12H8F2O3
SMILES
C1=CC=C2C=C(C(=CC2=C1)C(=O)O)OC(F)F
InChI
InChI=1S/C12H8F2O3/c13-12(14)17-10-6-8-4-2-1-3-7(8)5-9(10)11(15)16/h1-6,12H,(H,15,16)
InChIKey
GZOINMMLARRYIO-UHFFFAOYSA-N
Compound name
3-(difluoromethoxy)naphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.04414 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.05142 146.1
[M+Na]+ 261.03336 154.7
[M-H]- 237.03686 147.0
[M+NH4]+ 256.07796 164.0
[M+K]+ 277.00730 151.6
[M+H-H2O]+ 221.04140 138.4
[M+HCOO]- 283.04234 164.7
[M+CH3COO]- 297.05799 190.0
[M+Na-2H]- 259.01881 150.5
[M]+ 238.04359 144.9
[M]- 238.04469 144.9
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.