CID 72208425

2248315-90-2

Structural Information

Molecular Formula
C7H7FIN
SMILES
C1=C(C=C(C=C1F)I)CN
InChI
InChI=1S/C7H7FIN/c8-6-1-5(4-10)2-7(9)3-6/h1-3H,4,10H2
InChIKey
LBMYMISEQXDLFV-UHFFFAOYSA-N
Compound name
(3-fluoro-5-iodophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

250.96072 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.96800 136.9
[M+Na]+ 273.94994 138.7
[M-H]- 249.95344 132.3
[M+NH4]+ 268.99454 153.2
[M+K]+ 289.92388 142.0
[M+H-H2O]+ 233.95798 127.1
[M+HCOO]- 295.95892 155.9
[M+CH3COO]- 309.97457 186.0
[M+Na-2H]- 271.93539 130.6
[M]+ 250.96017 131.5
[M]- 250.96127 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