CID 68498279

1097626-21-5

Structural Information

Molecular Formula
C7H5F2IO
SMILES
C1=C(C(=CC(=C1I)F)F)CO
InChI
InChI=1S/C7H5F2IO/c8-5-2-6(9)7(10)1-4(5)3-11/h1-2,11H,3H2
InChIKey
UVJKWOHAMOGLCR-UHFFFAOYSA-N
Compound name
(2,4-difluoro-5-iodophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

269.93533 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.942606 134.8
[M+Na]+ 292.924548 138.0
[M-H]- 268.928054 128.5
[M+NH4]+ 287.969153 150.5
[M+K]+ 308.898488 141.0
[M+H-H2O]+ 252.932590 124.8
[M+HCOO]- 314.933531 151.3
[M+CH3COO]- 328.949181 185.2
[M+Na-2H]- 290.909996 127.9
[M]+ 269.93478142 130.0
[M]- 269.93587858 130.0
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