CID 46311704

2-(difluoromethyl)1,3-difluorobenzene

Structural Information

Molecular Formula
C7H4F4
SMILES
C1=CC(=C(C(=C1)F)C(F)F)F
InChI
InChI=1S/C7H4F4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,7H
InChIKey
CIQBXJXLFJDXHE-UHFFFAOYSA-N
Compound name
2-(difluoromethyl)-1,3-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

164.02492 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.03220 124.1
[M+Na]+ 187.01414 134.2
[M-H]- 163.01764 123.3
[M+NH4]+ 182.05874 145.0
[M+K]+ 202.98808 131.6
[M+H-H2O]+ 147.02218 115.7
[M+HCOO]- 209.02312 144.0
[M+CH3COO]- 223.03877 179.7
[M+Na-2H]- 184.99959 128.5
[M]+ 164.02437 118.7
[M]- 164.02547 118.7
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

patents stripe