CID 72544078

2,3,4,5-tetrafluoro-6-iodoaniline

Structural Information

Molecular Formula
C6H2F4IN
SMILES
C1(=C(C(=C(C(=C1I)F)F)F)F)N
InChI
InChI=1S/C6H2F4IN/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2
InChIKey
CJAYCTZFMUEVOD-UHFFFAOYSA-N
Compound name
2,3,4,5-tetrafluoro-6-iodoaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

290.9168 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.92408 135.3
[M+Na]+ 313.90602 140.4
[M-H]- 289.90952 128.2
[M+NH4]+ 308.95062 150.7
[M+K]+ 329.87996 142.7
[M+H-H2O]+ 273.91406 123.7
[M+HCOO]- 335.91500 151.6
[M+CH3COO]- 349.93065 194.5
[M+Na-2H]- 311.89147 126.3
[M]+ 290.91625 127.4
[M]- 290.91735 127.4
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