CID 75351

2,3,5,6-tetrafluoroanisole

Structural Information

Molecular Formula
C7H4F4O
SMILES
COC1=C(C(=CC(=C1F)F)F)F
InChI
InChI=1S/C7H4F4O/c1-12-7-5(10)3(8)2-4(9)6(7)11/h2H,1H3
InChIKey
AXCOCGJDERQVDK-UHFFFAOYSA-N
Compound name
1,2,4,5-tetrafluoro-3-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

317
Patents

180.01982 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.02710 126.1
[M+Na]+ 203.00904 138.3
[M-H]- 179.01254 125.9
[M+NH4]+ 198.05364 147.0
[M+K]+ 218.98298 135.8
[M+H-H2O]+ 163.01708 117.9
[M+HCOO]- 225.01802 147.2
[M+CH3COO]- 239.03367 183.1
[M+Na-2H]- 200.99449 130.4
[M]+ 180.01927 123.5
[M]- 180.02037 123.5
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