CID 91882162

2,3-difluoro-5-(methoxycarbonyl)benzoic acid

Structural Information

Molecular Formula
C9H6F2O4
SMILES
COC(=O)C1=CC(=C(C(=C1)F)F)C(=O)O
InChI
InChI=1S/C9H6F2O4/c1-15-9(14)4-2-5(8(12)13)7(11)6(10)3-4/h2-3H,1H3,(H,12,13)
InChIKey
LNSMQSGZGVHPCU-UHFFFAOYSA-N
Compound name
2,3-difluoro-5-methoxycarbonylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.02342 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.03070 145.1
[M+Na]+ 239.01264 154.9
[M+NH4]+ 234.05724 150.0
[M+K]+ 254.98658 151.3
[M-H]- 215.01614 142.0
[M+Na-2H]- 236.99809 147.9
[M]+ 216.02287 145.1
[M]- 216.02397 145.1
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.