CID 50989415

3,3-difluoro-2-phenylazetidine hydrochloride

Structural Information

Molecular Formula
C9H9F2N
SMILES
C1C(C(N1)C2=CC=CC=C2)(F)F
InChI
InChI=1S/C9H9F2N/c10-9(11)6-12-8(9)7-4-2-1-3-5-7/h1-5,8,12H,6H2
InChIKey
SXIWYYFFWQSQIJ-UHFFFAOYSA-N
Compound name
3,3-difluoro-2-phenylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

169.07031 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.07759 132.1
[M+Na]+ 192.05953 139.8
[M-H]- 168.06303 133.8
[M+NH4]+ 187.10413 146.2
[M+K]+ 208.03347 139.1
[M+H-H2O]+ 152.06757 119.9
[M+HCOO]- 214.06851 150.2
[M+CH3COO]- 228.08416 179.1
[M+Na-2H]- 190.04498 138.6
[M]+ 169.06976 135.0
[M]- 169.07086 135.0
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