CID 105504732

2094461-96-6

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]+ 244.01317 139.4
[M+Na]+ 265.99511 149.8
[M-H]- 241.99861 147.1
[M+NH4]+ 261.03971 156.0
[M+K]+ 281.96905 141.1
[M+H-H2O]+ 226.00315 134.4
[M+HCOO]- 288.00409 159.0
[M+CH3COO]- 302.01974 194.0
[M+Na-2H]- 263.98056 146.2
[M]+ 243.00534 161.6
[M]- 243.00644 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.