CID 2782928

121219-07-6

Structural Information

Molecular Formula
C8H8F2O
SMILES
CCOC1=C(C(=CC=C1)F)F
InChI
InChI=1S/C8H8F2O/c1-2-11-7-5-3-4-6(9)8(7)10/h3-5H,2H2,1H3
InChIKey
AVOGLGBKOFOSBN-UHFFFAOYSA-N
Compound name
1-ethoxy-2,3-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

428
Patents

158.05432 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06160 126.4
[M+Na]+ 181.04354 136.2
[M-H]- 157.04704 128.1
[M+NH4]+ 176.08814 147.9
[M+K]+ 197.01748 134.3
[M+H-H2O]+ 141.05158 119.5
[M+HCOO]- 203.05252 149.4
[M+CH3COO]- 217.06817 178.1
[M+Na-2H]- 179.02899 132.7
[M]+ 158.05377 125.9
[M]- 158.05487 125.9
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