CID 15789467

(2,2-difluoroethoxy)benzene

Structural Information

Molecular Formula
C8H8F2O
SMILES
C1=CC=C(C=C1)OCC(F)F
InChI
InChI=1S/C8H8F2O/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKey
HOKWHGYUNYFNTP-UHFFFAOYSA-N
Compound name
2,2-difluoroethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

184
Patents

158.05432 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06160 128.1
[M+Na]+ 181.04354 135.7
[M-H]- 157.04704 129.1
[M+NH4]+ 176.08814 148.8
[M+K]+ 197.01748 134.3
[M+H-H2O]+ 141.05158 120.8
[M+HCOO]- 203.05252 150.1
[M+CH3COO]- 217.06817 176.7
[M+Na-2H]- 179.02899 134.5
[M]+ 158.05377 126.1
[M]- 158.05487 126.1
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