CID 79022208

3,4,6-trifluoro-2-iodoaniline

Structural Information

Molecular Formula
C6H3F3IN
SMILES
C1=C(C(=C(C(=C1F)F)I)N)F
InChI
InChI=1S/C6H3F3IN/c7-2-1-3(8)6(11)5(10)4(2)9/h1H,11H2
InChIKey
NLBADBUEJHRKAI-UHFFFAOYSA-N
Compound name
3,4,6-trifluoro-2-iodoaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

272.92624 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.93352 134.1
[M+Na]+ 295.91546 138.3
[M-H]- 271.91896 127.9
[M+NH4]+ 290.96006 150.0
[M+K]+ 311.88940 141.0
[M+H-H2O]+ 255.92350 123.2
[M+HCOO]- 317.92444 151.5
[M+CH3COO]- 331.94009 190.6
[M+Na-2H]- 293.90091 126.2
[M]+ 272.92569 127.0
[M]- 272.92679 127.0
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