CID 105504732

1-(4-bromophenyl)-3-fluorocyclobutan-1-amine hydrochloride

Structural Information

Molecular Formula
C10H11BrFN
SMILES
C1C(CC1(C2=CC=C(C=C2)Br)N)F
InChI
InChI=1S/C10H11BrFN/c11-8-3-1-7(2-4-8)10(13)5-9(12)6-10/h1-4,9H,5-6,13H2
InChIKey
ISFYSDCWDWCDSU-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-3-fluorocyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.00589 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.013166 139.4
[M+Na]+ 265.995108 149.8
[M-H]- 241.998614 147.1
[M+NH4]+ 261.039713 156.0
[M+K]+ 281.969048 141.1
[M+H-H2O]+ 226.003150 134.4
[M+HCOO]- 288.004091 159.0
[M+CH3COO]- 302.019741 194.0
[M+Na-2H]- 263.980556 146.2
[M]+ 243.00534142 161.6
[M]- 243.00643858 161.6
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.