CID 124252502

(4-chloro-2-fluoro-5-iodo-phenyl)-methanol

Structural Information

Molecular Formula
C7H5ClFIO
SMILES
C1=C(C(=CC(=C1I)Cl)F)CO
InChI
InChI=1S/C7H5ClFIO/c8-5-2-6(9)4(3-11)1-7(5)10/h1-2,11H,3H2
InChIKey
INSVBFKYWUYHBY-UHFFFAOYSA-N
Compound name
(4-chloro-2-fluoro-5-iodophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.90576 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.91304 136.2
[M+Na]+ 308.89498 140.2
[M-H]- 284.89848 131.1
[M+NH4]+ 303.93958 152.3
[M+K]+ 324.86892 141.7
[M+H-H2O]+ 268.90302 128.0
[M+HCOO]- 330.90396 149.6
[M+CH3COO]- 344.91961 186.2
[M+Na-2H]- 306.88043 129.7
[M]+ 285.90521 134.5
[M]- 285.90631 134.5
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

No patent data available for this compound.