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]+ 198.10889 143.0
[M+Na]+ 220.09083 150.3
[M-H]- 196.09433 147.2
[M+NH4]+ 215.13543 159.3
[M+K]+ 236.06477 149.8
[M+H-H2O]+ 180.09887 131.7
[M+HCOO]- 242.09981 163.5
[M+CH3COO]- 256.11546 188.7
[M+Na-2H]- 218.07628 148.9
[M]+ 197.10106 146.6
[M]- 197.10216 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.