CID 136549

2,3,5,6-tetrafluoro-p-xylene

Structural Information

Molecular Formula
C8H6F4
SMILES
CC1=C(C(=C(C(=C1F)F)C)F)F
InChI
InChI=1S/C8H6F4/c1-3-5(9)7(11)4(2)8(12)6(3)10/h1-2H3
InChIKey
IWKPBYPUIPVYNZ-UHFFFAOYSA-N
Compound name
1,2,4,5-tetrafluoro-3,6-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2173
Patents

178.04056 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.04784 144.5
[M+Na]+ 201.02978 154.9
[M+NH4]+ 196.07438 150.4
[M+K]+ 217.00372 148.5
[M-H]- 177.03328 141.8
[M+Na-2H]- 199.01523 148.0
[M]+ 178.04001 145.0
[M]- 178.04111 145.0
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

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