CID 132274965

2-fluoro-6-(trifluoromethyl)benzoic anhydride

Structural Information

Molecular Formula
C16H6F8O3
SMILES
C1=CC(=C(C(=C1)F)C(=O)OC(=O)C2=C(C=CC=C2F)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C16H6F8O3/c17-9-5-1-3-7(15(19,20)21)11(9)13(25)27-14(26)12-8(16(22,23)24)4-2-6-10(12)18/h1-6H
InChIKey
WBQMFZFVXXISMA-UHFFFAOYSA-N
Compound name
[2-fluoro-6-(trifluoromethyl)benzoyl] 2-fluoro-6-(trifluoromethyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

398.01892 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.02620 179.8
[M+Na]+ 421.00814 190.7
[M-H]- 397.01164 177.3
[M+NH4]+ 416.05274 190.9
[M+K]+ 436.98208 185.5
[M+H-H2O]+ 381.01618 166.2
[M+HCOO]- 443.01712 190.6
[M+CH3COO]- 457.03277 219.2
[M+Na-2H]- 418.99359 178.6
[M]+ 398.01837 171.7
[M]- 398.01947 171.7
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