CID 11073841

1-(2,2-difluoroethenyl)-4-methoxybenzene

Structural Information

Molecular Formula
C9H8F2O
SMILES
COC1=CC=C(C=C1)C=C(F)F
InChI
InChI=1S/C9H8F2O/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-6H,1H3
InChIKey
TUSNPYTWRBGHSW-UHFFFAOYSA-N
Compound name
1-(2,2-difluoroethenyl)-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

170.05432 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06160 130.9
[M+Na]+ 193.04354 139.4
[M-H]- 169.04704 132.1
[M+NH4]+ 188.08814 151.5
[M+K]+ 209.01748 137.1
[M+H-H2O]+ 153.05158 123.7
[M+HCOO]- 215.05252 152.8
[M+CH3COO]- 229.06817 179.3
[M+Na-2H]- 191.02899 136.1
[M]+ 170.05377 128.9
[M]- 170.05487 128.9
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