CID 145875837

1835726-68-5

Structural Information

Molecular Formula
C10H8F2O4
SMILES
COC(=O)C1=CC(=CC=C1)C(C(=O)O)(F)F
InChI
InChI=1S/C10H8F2O4/c1-16-8(13)6-3-2-4-7(5-6)10(11,12)9(14)15/h2-5H,1H3,(H,14,15)
InChIKey
UXNGDVHYLOUHFT-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-(3-methoxycarbonylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.03906 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.04634 143.4
[M+Na]+ 253.02828 151.3
[M-H]- 229.03178 143.4
[M+NH4]+ 248.07288 160.5
[M+K]+ 269.00222 149.8
[M+H-H2O]+ 213.03632 136.4
[M+HCOO]- 275.03726 161.8
[M+CH3COO]- 289.05291 186.1
[M+Na-2H]- 251.01373 147.2
[M]+ 230.03851 142.4
[M]- 230.03961 142.4
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.