CID 16780338

3-[(2,6-difluorophenyl)methyl]azetidine hydrochloride

Structural Information

Molecular Formula
C10H11F2N
SMILES
C1C(CN1)CC2=C(C=CC=C2F)F
InChI
InChI=1S/C10H11F2N/c11-9-2-1-3-10(12)8(9)4-7-5-13-6-7/h1-3,7,13H,4-6H2
InChIKey
MSJRWRPIDVGOMR-UHFFFAOYSA-N
Compound name
3-[(2,6-difluorophenyl)methyl]azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

183.08595 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.09323 135.1
[M+Na]+ 206.07517 142.4
[M-H]- 182.07867 136.5
[M+NH4]+ 201.11977 146.9
[M+K]+ 222.04911 141.3
[M+H-H2O]+ 166.08321 121.9
[M+HCOO]- 228.08415 152.9
[M+CH3COO]- 242.09980 183.6
[M+Na-2H]- 204.06062 139.5
[M]+ 183.08540 138.5
[M]- 183.08650 138.5
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