CID 155630720

3-chloro-2-fluoro-6-(methoxymethoxy)benzoicacid

Structural Information

Molecular Formula
C9H8ClFO4
SMILES
COCOC1=C(C(=C(C=C1)Cl)F)C(=O)O
InChI
InChI=1S/C9H8ClFO4/c1-14-4-15-6-3-2-5(10)8(11)7(6)9(12)13/h2-3H,4H2,1H3,(H,12,13)
InChIKey
ZVHIQCRXSNDXCS-UHFFFAOYSA-N
Compound name
3-chloro-2-fluoro-6-(methoxymethoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.00952 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.01680 143.2
[M+Na]+ 256.99874 155.3
[M+NH4]+ 252.04334 149.8
[M+K]+ 272.97268 150.3
[M-H]- 233.00224 142.2
[M+Na-2H]- 254.98419 147.8
[M]+ 234.00897 144.7
[M]- 234.01007 144.7
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.