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

377
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

literature stripe

Patent stripe

patents stripe