CID 61400207

1248010-90-3

Structural Information

Molecular Formula
C8H7F2IO
SMILES
C1=CC(=CC=C1OCC(F)F)I
InChI
InChI=1S/C8H7F2IO/c9-8(10)5-12-7-3-1-6(11)2-4-7/h1-4,8H,5H2
InChIKey
FFZHKFFZUCQUBC-UHFFFAOYSA-N
Compound name
1-(2,2-difluoroethoxy)-4-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

283.95096 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.95824 140.5
[M+Na]+ 306.94018 141.7
[M-H]- 282.94368 134.7
[M+NH4]+ 301.98478 155.7
[M+K]+ 322.91412 145.7
[M+H-H2O]+ 266.94822 129.6
[M+HCOO]- 328.94916 157.2
[M+CH3COO]- 342.96481 189.2
[M+Na-2H]- 304.92563 133.7
[M]+ 283.95041 136.5
[M]- 283.95151 136.5
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