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

12
Patents

243.00589 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.01317 137.8
[M+Na]+ 265.99511 148.0
[M-H]- 241.99861 143.1
[M+NH4]+ 261.03971 151.4
[M+K]+ 281.96905 138.9
[M+H-H2O]+ 226.00315 132.2
[M+HCOO]- 288.00409 154.7
[M+CH3COO]- 302.01974 190.7
[M+Na-2H]- 263.98056 144.3
[M]+ 243.00534 160.1
[M]- 243.00644 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