CID 2761165

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

Structural Information

Molecular Formula
C7H4BrF3INO
SMILES
C1=C(C=C(C(=C1Br)N)I)OC(F)(F)F
InChI
InChI=1S/C7H4BrF3INO/c8-4-1-3(14-7(9,10)11)2-5(12)6(4)13/h1-2H,13H2
InChIKey
DOYOILBYIVLGGL-UHFFFAOYSA-N
Compound name
2-bromo-6-iodo-4-(trifluoromethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

380.84732 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.85460 160.4
[M+Na]+ 403.83654 166.5
[M-H]- 379.84004 156.6
[M+NH4]+ 398.88114 175.4
[M+K]+ 419.81048 160.5
[M+H-H2O]+ 363.84458 154.2
[M+HCOO]- 425.84552 173.8
[M+CH3COO]- 439.86117 202.8
[M+Na-2H]- 401.82199 153.9
[M]+ 380.84677 171.4
[M]- 380.84787 171.4
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