CID 2737084

2,3-difluoro-4-(trifluoromethyl)phenylacetic acid

Structural Information

Molecular Formula
C9H5F5O2
SMILES
C1=CC(=C(C(=C1CC(=O)O)F)F)C(F)(F)F
InChI
InChI=1S/C9H5F5O2/c10-7-4(3-6(15)16)1-2-5(8(7)11)9(12,13)14/h1-2H,3H2,(H,15,16)
InChIKey
FIEZAAANOPOSLH-UHFFFAOYSA-N
Compound name
2-[2,3-difluoro-4-(trifluoromethyl)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

240.02097 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.02825 141.8
[M+Na]+ 263.01019 152.3
[M-H]- 239.01369 138.5
[M+NH4]+ 258.05479 159.1
[M+K]+ 278.98413 148.7
[M+H-H2O]+ 223.01823 132.7
[M+HCOO]- 285.01917 157.5
[M+CH3COO]- 299.03482 189.9
[M+Na-2H]- 260.99564 144.0
[M]+ 240.02042 135.8
[M]- 240.02152 135.8
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

patents stripe