CID 44887004

2,4-difluoro-3-(trifluoromethoxy)benzoic acid

Structural Information

Molecular Formula
C8H3F5O3
SMILES
C1=CC(=C(C(=C1C(=O)O)F)OC(F)(F)F)F
InChI
InChI=1S/C8H3F5O3/c9-4-2-1-3(7(14)15)5(10)6(4)16-8(11,12)13/h1-2H,(H,14,15)
InChIKey
XIGZCSAWUPZMGI-UHFFFAOYSA-N
Compound name
2,4-difluoro-3-(trifluoromethoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.00023 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.00751 140.1
[M+Na]+ 264.98945 150.9
[M-H]- 240.99295 136.9
[M+NH4]+ 260.03405 157.2
[M+K]+ 280.96339 148.1
[M+H-H2O]+ 224.99749 131.0
[M+HCOO]- 286.99843 156.3
[M+CH3COO]- 301.01408 189.0
[M+Na-2H]- 262.97490 142.9
[M]+ 241.99968 135.2
[M]- 242.00078 135.2
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.