CID 129910326

2-(2-fluoro-5-iodophenyl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C8H9FIN
SMILES
C1=CC(=C(C=C1I)CCN)F
InChI
InChI=1S/C8H9FIN/c9-8-2-1-7(10)5-6(8)3-4-11/h1-2,5H,3-4,11H2
InChIKey
MBLBMGWDTQDNAX-UHFFFAOYSA-N
Compound name
2-(2-fluoro-5-iodophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.97638 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.98366 141.8
[M+Na]+ 287.96560 143.2
[M-H]- 263.96910 137.1
[M+NH4]+ 283.01020 157.6
[M+K]+ 303.93954 146.3
[M+H-H2O]+ 247.97364 131.8
[M+HCOO]- 309.97458 160.5
[M+CH3COO]- 323.99023 188.9
[M+Na-2H]- 285.95105 134.9
[M]+ 264.97583 136.8
[M]- 264.97693 136.8
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

No patent data available for this compound.