CID 80133233

1807885-00-2

Structural Information

Molecular Formula
C10H11ClFN
SMILES
C1C(CC1N)C2=CC(=C(C=C2)F)Cl
InChI
InChI=1S/C10H11ClFN/c11-9-5-6(1-2-10(9)12)7-3-8(13)4-7/h1-2,5,7-8H,3-4,13H2
InChIKey
FSMRURMJWBDLAZ-UHFFFAOYSA-N
Compound name
3-(3-chloro-4-fluorophenyl)cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.05641 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.06369 136.4
[M+Na]+ 222.04563 144.9
[M-H]- 198.04913 141.4
[M+NH4]+ 217.09023 150.2
[M+K]+ 238.01957 142.9
[M+H-H2O]+ 182.05367 125.3
[M+HCOO]- 244.05461 153.8
[M+CH3COO]- 258.07026 189.7
[M+Na-2H]- 220.03108 140.0
[M]+ 199.05586 142.9
[M]- 199.05696 142.9
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.