CID 68678407

4-iodo-3-(trifluoromethoxy)aniline

Structural Information

Molecular Formula
C7H5F3INO
SMILES
C1=CC(=C(C=C1N)OC(F)(F)F)I
InChI
InChI=1S/C7H5F3INO/c8-7(9,10)13-6-3-4(12)1-2-5(6)11/h1-3H,12H2
InChIKey
VDVMGAPDTJTWDH-UHFFFAOYSA-N
Compound name
4-iodo-3-(trifluoromethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

302.9368 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.94408 146.4
[M+Na]+ 325.92602 148.7
[M-H]- 301.92952 139.5
[M+NH4]+ 320.97062 160.6
[M+K]+ 341.89996 152.0
[M+H-H2O]+ 285.93406 134.9
[M+HCOO]- 347.93500 162.0
[M+CH3COO]- 361.95065 192.9
[M+Na-2H]- 323.91147 139.4
[M]+ 302.93625 139.5
[M]- 302.93735 139.5
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

patents stripe