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

7
Patents

269.93533 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.94261 134.8
[M+Na]+ 292.92455 138.0
[M-H]- 268.92805 128.5
[M+NH4]+ 287.96915 150.5
[M+K]+ 308.89849 141.0
[M+H-H2O]+ 252.93259 124.8
[M+HCOO]- 314.93353 151.3
[M+CH3COO]- 328.94918 185.2
[M+Na-2H]- 290.91000 127.9
[M]+ 269.93478 130.0
[M]- 269.93588 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