CID 79880637

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

Structural Information

Molecular Formula
C10H9BrFN
SMILES
C1C(=CC2=C(C=C(C=C2)Br)F)CN1
InChI
InChI=1S/C10H9BrFN/c11-9-2-1-8(10(12)4-9)3-7-5-13-6-7/h1-4,13H,5-6H2
InChIKey
OGMCKSLRIBIBRH-UHFFFAOYSA-N
Compound name
3-[(4-bromo-2-fluorophenyl)methylidene]azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

240.99023 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.99751 136.7
[M+Na]+ 263.97945 147.3
[M-H]- 239.98295 142.1
[M+NH4]+ 259.02405 150.4
[M+K]+ 279.95339 137.7
[M+H-H2O]+ 223.98749 131.2
[M+HCOO]- 285.98843 153.8
[M+CH3COO]- 300.00408 189.3
[M+Na-2H]- 261.96490 143.3
[M]+ 240.98968 158.4
[M]- 240.99078 158.4
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

No patent data available for this compound.