CID 79769629

N-cyclobutyl-4-fluoro-2-iodoaniline hydrochloride

Structural Information

Molecular Formula
C10H11FIN
SMILES
C1CC(C1)NC2=C(C=C(C=C2)F)I
InChI
InChI=1S/C10H11FIN/c11-7-4-5-10(9(12)6-7)13-8-2-1-3-8/h4-6,8,13H,1-3H2
InChIKey
XYLHRJSDXRIRBJ-UHFFFAOYSA-N
Compound name
N-cyclobutyl-4-fluoro-2-iodoaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.99203 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.99931 145.1
[M+Na]+ 313.98125 144.5
[M-H]- 289.98475 143.4
[M+NH4]+ 309.02585 153.9
[M+K]+ 329.95519 150.2
[M+H-H2O]+ 273.98929 129.5
[M+HCOO]- 335.99023 162.2
[M+CH3COO]- 350.00588 196.3
[M+Na-2H]- 311.96670 138.5
[M]+ 290.99148 147.3
[M]- 290.99258 147.3
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.