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]+ 200.063686 136.4
[M+Na]+ 222.045628 144.9
[M-H]- 198.049134 141.4
[M+NH4]+ 217.090233 150.2
[M+K]+ 238.019568 142.9
[M+H-H2O]+ 182.053670 125.3
[M+HCOO]- 244.054611 153.8
[M+CH3COO]- 258.070261 189.7
[M+Na-2H]- 220.031076 140.0
[M]+ 199.05586142 142.9
[M]- 199.05695858 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.