CID 16780686

3-[(4-bromo-2-fluorophenyl)methyl]azetidine hydrochloride

Structural Information

Molecular Formula
C10H11BrFN
SMILES
C1C(CN1)CC2=C(C=C(C=C2)Br)F
InChI
InChI=1S/C10H11BrFN/c11-9-2-1-8(10(12)4-9)3-7-5-13-6-7/h1-2,4,7,13H,3,5-6H2
InChIKey
HQECNZZZGKULQQ-UHFFFAOYSA-N
Compound name
3-[(4-bromo-2-fluorophenyl)methyl]azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

243.00589 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.013166 137.8
[M+Na]+ 265.995108 148.0
[M-H]- 241.998614 143.1
[M+NH4]+ 261.039713 151.4
[M+K]+ 281.969048 138.9
[M+H-H2O]+ 226.003150 132.2
[M+HCOO]- 288.004091 154.7
[M+CH3COO]- 302.019741 190.7
[M+Na-2H]- 263.980556 144.3
[M]+ 243.00534142 160.1
[M]- 243.00643858 160.1
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