CID 607045

1,4-dimethoxytetrafluorobenzene

Structural Information

Molecular Formula
C8H6F4O2
SMILES
COC1=C(C(=C(C(=C1F)F)OC)F)F
InChI
InChI=1S/C8H6F4O2/c1-13-7-3(9)5(11)8(14-2)6(12)4(7)10/h1-2H3
InChIKey
WQXKGOOORHDGFP-UHFFFAOYSA-N
Compound name
1,2,4,5-tetrafluoro-3,6-dimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

447
Patents

210.0304 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.03768 133.6
[M+Na]+ 233.01962 146.1
[M-H]- 209.02312 133.6
[M+NH4]+ 228.06422 153.5
[M+K]+ 248.99356 143.9
[M+H-H2O]+ 193.02766 125.2
[M+HCOO]- 255.02860 154.5
[M+CH3COO]- 269.04425 189.4
[M+Na-2H]- 231.00507 136.6
[M]+ 210.02985 133.1
[M]- 210.03095 133.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe