CID 22008078

1-ethoxy-2,3-difluoro-4-iodobenzene

Structural Information

Molecular Formula
C8H7F2IO
SMILES
CCOC1=C(C(=C(C=C1)I)F)F
InChI
InChI=1S/C8H7F2IO/c1-2-12-6-4-3-5(11)7(9)8(6)10/h3-4H,2H2,1H3
InChIKey
WZQBGHWYRCIGDB-UHFFFAOYSA-N
Compound name
1-ethoxy-2,3-difluoro-4-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

283.95096 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.95824 138.0
[M+Na]+ 306.94018 141.2
[M-H]- 282.94368 132.9
[M+NH4]+ 301.98478 153.9
[M+K]+ 322.91412 144.9
[M+H-H2O]+ 266.94822 127.6
[M+HCOO]- 328.94916 155.7
[M+CH3COO]- 342.96481 190.6
[M+Na-2H]- 304.92563 131.2
[M]+ 283.95041 135.4
[M]- 283.95151 135.4
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