CID 68520740

(2-fluoro-6-iodophenyl)methanamine hydrochloride

Structural Information

Molecular Formula
C7H7FIN
SMILES
C1=CC(=C(C(=C1)I)CN)F
InChI
InChI=1S/C7H7FIN/c8-6-2-1-3-7(9)5(6)4-10/h1-3H,4,10H2
InChIKey
FYXZRUMWEIPHKL-UHFFFAOYSA-N
Compound name
(2-fluoro-6-iodophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

250.96072 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.967996 136.9
[M+Na]+ 273.949938 138.7
[M-H]- 249.953444 132.3
[M+NH4]+ 268.994543 153.2
[M+K]+ 289.923878 142.0
[M+H-H2O]+ 233.957980 127.1
[M+HCOO]- 295.958921 155.9
[M+CH3COO]- 309.974571 186.0
[M+Na-2H]- 271.935386 130.6
[M]+ 250.96017142 131.5
[M]- 250.96126858 131.5
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