CID 117303914

1-[3-(difluoromethoxy)phenyl]cyclobutan-1-amine hydrochloride

Structural Information

Molecular Formula
C11H13F2NO
SMILES
C1CC(C1)(C2=CC(=CC=C2)OC(F)F)N
InChI
InChI=1S/C11H13F2NO/c12-10(13)15-9-4-1-3-8(7-9)11(14)5-2-6-11/h1,3-4,7,10H,2,5-6,14H2
InChIKey
YCSNNCZZIHFWSR-UHFFFAOYSA-N
Compound name
1-[3-(difluoromethoxy)phenyl]cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.09653 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.10381 146.6
[M+Na]+ 236.08575 152.2
[M-H]- 212.08925 150.1
[M+NH4]+ 231.13035 159.9
[M+K]+ 252.05969 152.7
[M+H-H2O]+ 196.09379 133.7
[M+HCOO]- 258.09473 166.1
[M+CH3COO]- 272.11038 191.8
[M+Na-2H]- 234.07120 150.1
[M]+ 213.09598 150.4
[M]- 213.09708 150.4
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.