CID 67186738

4-chloro-2-iodo-6-(trifluoromethoxy)aniline

Structural Information

Molecular Formula
C7H4ClF3INO
SMILES
C1=C(C=C(C(=C1OC(F)(F)F)N)I)Cl
InChI
InChI=1S/C7H4ClF3INO/c8-3-1-4(12)6(13)5(2-3)14-7(9,10)11/h1-2H,13H2
InChIKey
MEBHZMMHQWNFNL-UHFFFAOYSA-N
Compound name
4-chloro-2-iodo-6-(trifluoromethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

336.89783 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.90511 148.9
[M+Na]+ 359.88705 152.9
[M-H]- 335.89055 142.3
[M+NH4]+ 354.93165 163.0
[M+K]+ 375.86099 154.3
[M+H-H2O]+ 319.89509 138.5
[M+HCOO]- 381.89603 160.4
[M+CH3COO]- 395.91168 197.6
[M+Na-2H]- 357.87250 141.3
[M]+ 336.89728 144.4
[M]- 336.89838 144.4
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