CID 2734031

1,4-bis(difluoromethyl)benzene

Structural Information

Molecular Formula
C8H6F4
SMILES
C1=CC(=CC=C1C(F)F)C(F)F
InChI
InChI=1S/C8H6F4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4,7-8H
InChIKey
VWKMZVCSRVFUGW-UHFFFAOYSA-N
Compound name
1,4-bis(difluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

388
Patents

178.04056 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.04784 129.8
[M+Na]+ 201.02978 138.2
[M-H]- 177.03328 128.4
[M+NH4]+ 196.07438 149.8
[M+K]+ 217.00372 135.8
[M+H-H2O]+ 161.03782 121.0
[M+HCOO]- 223.03876 148.4
[M+CH3COO]- 237.05441 182.5
[M+Na-2H]- 199.01523 133.1
[M]+ 178.04001 123.7
[M]- 178.04111 123.7
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.