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

2958
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 126.5
[M+Na]+ 201.02978 139.3
[M-H]- 177.03328 126.6
[M+NH4]+ 196.07438 148.0
[M+K]+ 217.00372 136.1
[M+H-H2O]+ 161.03782 118.7
[M+HCOO]- 223.03876 147.1
[M+CH3COO]- 237.05441 185.4
[M+Na-2H]- 199.01523 129.7
[M]+ 178.04001 123.2
[M]- 178.04111 123.2
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.