CID 65921095

3-[(2,4-difluorophenyl)methyl]azetidin-3-ol hydrochloride

Structural Information

Molecular Formula
C10H11F2NO
SMILES
C1C(CN1)(CC2=C(C=C(C=C2)F)F)O
InChI
InChI=1S/C10H11F2NO/c11-8-2-1-7(9(12)3-8)4-10(14)5-13-6-10/h1-3,13-14H,4-6H2
InChIKey
LDEGUEPGTVITBN-UHFFFAOYSA-N
Compound name
3-[(2,4-difluorophenyl)methyl]azetidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

199.08087 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.088146 141.3
[M+Na]+ 222.070088 148.9
[M-H]- 198.073594 141.8
[M+NH4]+ 217.114693 153.7
[M+K]+ 238.044028 147.6
[M+H-H2O]+ 182.078130 129.1
[M+HCOO]- 244.079071 157.7
[M+CH3COO]- 258.094721 182.6
[M+Na-2H]- 220.055536 146.0
[M]+ 199.08032142 144.5
[M]- 199.08141858 144.5
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

patents stripe