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]+ 231.046336 143.4
[M+Na]+ 253.028278 151.3
[M-H]- 229.031784 143.4
[M+NH4]+ 248.072883 160.5
[M+K]+ 269.002218 149.8
[M+H-H2O]+ 213.036320 136.4
[M+HCOO]- 275.037261 161.8
[M+CH3COO]- 289.052911 186.1
[M+Na-2H]- 251.013726 147.2
[M]+ 230.03851142 142.4
[M]- 230.03960858 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.