CID 59320603

5-fluoro-2-iodo-4-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C7H4F4IN
SMILES
C1=C(C(=CC(=C1I)N)F)C(F)(F)F
InChI
InChI=1S/C7H4F4IN/c8-4-2-6(13)5(12)1-3(4)7(9,10)11/h1-2H,13H2
InChIKey
AGQDEXWRUJOXTB-UHFFFAOYSA-N
Compound name
5-fluoro-2-iodo-4-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

304.93246 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.93974 143.0
[M+Na]+ 327.92168 146.4
[M-H]- 303.92518 135.3
[M+NH4]+ 322.96628 157.4
[M+K]+ 343.89562 148.8
[M+H-H2O]+ 287.92972 131.2
[M+HCOO]- 349.93066 157.5
[M+CH3COO]- 363.94631 194.8
[M+Na-2H]- 325.90713 135.1
[M]+ 304.93191 134.0
[M]- 304.93301 134.0
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