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 140.8
[M+Na]+ 256.99874 151.3
[M-H]- 233.00224 142.7
[M+NH4]+ 252.04334 159.4
[M+K]+ 272.97268 148.2
[M+H-H2O]+ 217.00678 135.7
[M+HCOO]- 279.00772 158.5
[M+CH3COO]- 293.02337 186.9
[M+Na-2H]- 254.98419 144.6
[M]+ 234.00897 145.5
[M]- 234.01007 145.5
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.