CID 10892

1,4-difluorobenzene

Structural Information

Molecular Formula
C6H4F2
SMILES
C1=CC(=CC=C1F)F
InChI
InChI=1S/C6H4F2/c7-5-1-2-6(8)4-3-5/h1-4H
InChIKey
QUGUFLJIAFISSW-UHFFFAOYSA-N
Compound name
1,4-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

45
References

21193
Patents

114.02811 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.03539 113.9
[M+Na]+ 137.01733 123.7
[M-H]- 113.02083 115.6
[M+NH4]+ 132.06193 136.9
[M+K]+ 152.99127 121.9
[M+H-H2O]+ 97.025370 107.5
[M+HCOO]- 159.02631 137.4
[M+CH3COO]- 173.04196 169.0
[M+Na-2H]- 135.00278 122.2
[M]+ 114.02756 110.9
[M]- 114.02866 110.9
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