CID 171001836

1-chloro-5-fluoro-2-iodo-4-methoxybenzene

Structural Information

Molecular Formula
C7H5ClFIO
SMILES
COC1=CC(=C(C=C1F)Cl)I
InChI
InChI=1S/C7H5ClFIO/c1-11-7-3-6(10)4(8)2-5(7)9/h2-3H,1H3
InChIKey
DBDCHMVFBYDWJH-UHFFFAOYSA-N
Compound name
1-chloro-5-fluoro-2-iodo-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.90576 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.91304 134.6
[M+Na]+ 308.89498 138.9
[M-H]- 284.89848 130.8
[M+NH4]+ 303.93958 151.3
[M+K]+ 324.86892 141.4
[M+H-H2O]+ 268.90302 126.1
[M+HCOO]- 330.90396 149.4
[M+CH3COO]- 344.91961 188.7
[M+Na-2H]- 306.88043 128.7
[M]+ 285.90521 134.7
[M]- 285.90631 134.7
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.