CID 45790664

2-(1,1-difluoroethyl)-1,3-difluorobenzene

Structural Information

Molecular Formula
C8H6F4
SMILES
CC(C1=C(C=CC=C1F)F)(F)F
InChI
InChI=1S/C8H6F4/c1-8(11,12)7-5(9)3-2-4-6(7)10/h2-4H,1H3
InChIKey
KTRFARQLXKMSPA-UHFFFAOYSA-N
Compound name
2-(1,1-difluoroethyl)-1,3-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

178.04056 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.04784 144.0
[M+Na]+ 201.02978 153.3
[M+NH4]+ 196.07438 149.7
[M+K]+ 217.00372 147.5
[M-H]- 177.03328 140.6
[M+Na-2H]- 199.01523 148.0
[M]+ 178.04001 144.2
[M]- 178.04111 144.2
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

patents stripe