CID 78896

2,3,5,6-tetrafluorotoluene

Structural Information

Molecular Formula
C7H4F4
SMILES
CC1=C(C(=CC(=C1F)F)F)F
InChI
InChI=1S/C7H4F4/c1-3-6(10)4(8)2-5(9)7(3)11/h2H,1H3
InChIKey
POMGTQLCZJZYAM-UHFFFAOYSA-N
Compound name
1,2,4,5-tetrafluoro-3-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1137
Patents

164.02492 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.03220 122.5
[M+Na]+ 187.01414 134.7
[M-H]- 163.01764 122.4
[M+NH4]+ 182.05874 144.2
[M+K]+ 202.98808 131.8
[M+H-H2O]+ 147.02218 114.6
[M+HCOO]- 209.02312 143.4
[M+CH3COO]- 223.03877 181.2
[M+Na-2H]- 184.99959 126.9
[M]+ 164.02437 118.5
[M]- 164.02547 118.5
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.