CID 11084

1,2,3,4-tetrafluorobenzene

Structural Information

Molecular Formula
C6H2F4
SMILES
C1=CC(=C(C(=C1F)F)F)F
InChI
InChI=1S/C6H2F4/c7-3-1-2-4(8)6(10)5(3)9/h1-2H
InChIKey
SOZFIIXUNAKEJP-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrafluorobenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

17
References

8020
Patents

150.00926 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.01654 118.4
[M+Na]+ 172.99848 130.1
[M-H]- 149.00198 118.1
[M+NH4]+ 168.04308 140.3
[M+K]+ 188.97242 127.4
[M+H-H2O]+ 133.00652 110.4
[M+HCOO]- 195.00746 139.7
[M+CH3COO]- 209.02311 177.0
[M+Na-2H]- 170.98393 124.0
[M]+ 150.00871 113.6
[M]- 150.00981 113.6
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