CID 105450547

(3,3-difluoro-1-phenylcyclobutyl)methanamine hydrochloride

Structural Information

Molecular Formula
C11H13F2N
SMILES
C1C(CC1(F)F)(CN)C2=CC=CC=C2
InChI
InChI=1S/C11H13F2N/c12-11(13)6-10(7-11,8-14)9-4-2-1-3-5-9/h1-5H,6-8,14H2
InChIKey
ZKDASHDGLBHTHB-UHFFFAOYSA-N
Compound name
(3,3-difluoro-1-phenylcyclobutyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.10161 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.108886 143.0
[M+Na]+ 220.090828 150.3
[M-H]- 196.094334 147.2
[M+NH4]+ 215.135433 159.3
[M+K]+ 236.064768 149.8
[M+H-H2O]+ 180.098870 131.7
[M+HCOO]- 242.099811 163.5
[M+CH3COO]- 256.115461 188.7
[M+Na-2H]- 218.076276 148.9
[M]+ 197.10106142 146.6
[M]- 197.10215858 146.6
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.