CID 136576404

1,4-dimethyl 2-fluoro-6-methylbenzene-1,4-dicarboxylate

Structural Information

Molecular Formula
C11H11FO4
SMILES
CC1=CC(=CC(=C1C(=O)OC)F)C(=O)OC
InChI
InChI=1S/C11H11FO4/c1-6-4-7(10(13)15-2)5-8(12)9(6)11(14)16-3/h4-5H,1-3H3
InChIKey
SBQFNVXBAVHUPW-UHFFFAOYSA-N
Compound name
dimethyl 2-fluoro-6-methylbenzene-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.06413 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.07141 143.5
[M+Na]+ 249.05335 153.0
[M-H]- 225.05685 146.7
[M+NH4]+ 244.09795 162.3
[M+K]+ 265.02729 152.2
[M+H-H2O]+ 209.06139 137.0
[M+HCOO]- 271.06233 165.7
[M+CH3COO]- 285.07798 190.4
[M+Na-2H]- 247.03880 145.8
[M]+ 226.06358 147.2
[M]- 226.06468 147.2
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.