CID 2761172

2-iodo-4-(trifluoromethoxy)aniline

Structural Information

Molecular Formula
C7H5F3INO
SMILES
C1=CC(=C(C=C1OC(F)(F)F)I)N
InChI
InChI=1S/C7H5F3INO/c8-7(9,10)13-4-1-2-6(12)5(11)3-4/h1-3H,12H2
InChIKey
QDKAGYKFJHVWBK-UHFFFAOYSA-N
Compound name
2-iodo-4-(trifluoromethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
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

literature stripe

Patent stripe

patents stripe