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]+ 179.047836 126.5
[M+Na]+ 201.029778 139.3
[M-H]- 177.033284 126.6
[M+NH4]+ 196.074383 148.0
[M+K]+ 217.003718 136.1
[M+H-H2O]+ 161.037820 118.7
[M+HCOO]- 223.038761 147.1
[M+CH3COO]- 237.054411 185.4
[M+Na-2H]- 199.015226 129.7
[M]+ 178.04001142 123.2
[M]- 178.04110858 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

literature stripe

Patent stripe

patents stripe