CID 58072303

2-fluoro-4-(trifluoromethoxy)benzoic acid

Structural Information

Molecular Formula
C8H4F4O3
SMILES
C1=CC(=C(C=C1OC(F)(F)F)F)C(=O)O
InChI
InChI=1S/C8H4F4O3/c9-6-3-4(15-8(10,11)12)1-2-5(6)7(13)14/h1-3H,(H,13,14)
InChIKey
TUXSSQNLBPWREW-UHFFFAOYSA-N
Compound name
2-fluoro-4-(trifluoromethoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

224.00966 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.01694 137.8
[M+Na]+ 246.99888 147.7
[M-H]- 223.00238 135.7
[M+NH4]+ 242.04348 155.5
[M+K]+ 262.97282 145.3
[M+H-H2O]+ 207.00692 129.4
[M+HCOO]- 269.00786 155.2
[M+CH3COO]- 283.02351 184.9
[M+Na-2H]- 244.98433 141.9
[M]+ 224.00911 133.8
[M]- 224.01021 133.8
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