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]+ 239.051416 146.1
[M+Na]+ 261.033358 154.7
[M-H]- 237.036864 147.0
[M+NH4]+ 256.077963 164.0
[M+K]+ 277.007298 151.6
[M+H-H2O]+ 221.041400 138.4
[M+HCOO]- 283.042341 164.7
[M+CH3COO]- 297.057991 190.0
[M+Na-2H]- 259.018806 150.5
[M]+ 238.04359142 144.9
[M]- 238.04468858 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.