CID 90074097

4-chloro-1-iodo-2-(trifluoromethoxy)benzene

Structural Information

Molecular Formula
C7H3ClF3IO
SMILES
C1=CC(=C(C=C1Cl)OC(F)(F)F)I
InChI
InChI=1S/C7H3ClF3IO/c8-4-1-2-5(12)6(3-4)13-7(9,10)11/h1-3H
InChIKey
DUODVRGIROJIBV-UHFFFAOYSA-N
Compound name
4-chloro-1-iodo-2-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

321.88693 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.89421 140.3
[M+Na]+ 344.87615 144.4
[M-H]- 320.87965 133.9
[M+NH4]+ 339.92075 155.4
[M+K]+ 360.85009 146.3
[M+H-H2O]+ 304.88419 130.2
[M+HCOO]- 366.88513 151.6
[M+CH3COO]- 380.90078 192.6
[M+Na-2H]- 342.86160 134.6
[M]+ 321.88638 137.3
[M]- 321.88748 137.3
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