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

1120
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

literature stripe

Patent stripe

patents stripe