CID 165852428

2757999-74-7

Structural Information

Molecular Formula
C11H8F4O4
SMILES
C1C(C(COC2=C(O1)C=CC(=C2)C(=O)O)(F)F)(F)F
InChI
InChI=1S/C11H8F4O4/c12-10(13)4-18-7-2-1-6(9(16)17)3-8(7)19-5-11(10,14)15/h1-3H,4-5H2,(H,16,17)
InChIKey
KUSAKJOPSFXKGC-UHFFFAOYSA-N
Compound name
3,3,4,4-tetrafluoro-2,5-dihydro-1,6-benzodioxocine-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.03586 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.04314 169.1
[M+Na]+ 303.02508 175.4
[M-H]- 279.02858 169.4
[M+NH4]+ 298.06968 177.0
[M+K]+ 318.99902 175.7
[M+H-H2O]+ 263.03312 164.2
[M+HCOO]- 325.03406 174.5
[M+CH3COO]- 339.04971 227.3
[M+Na-2H]- 301.01053 168.5
[M]+ 280.03531 167.2
[M]- 280.03641 167.2
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.