CID 79879159

3-[(3-bromophenyl)methylidene]azetidine hydrochloride

Structural Information

Molecular Formula
C10H10BrN
SMILES
C1C(=CC2=CC(=CC=C2)Br)CN1
InChI
InChI=1S/C10H10BrN/c11-10-3-1-2-8(5-10)4-9-6-12-7-9/h1-5,12H,6-7H2
InChIKey
YBZFOVSITSMTTB-UHFFFAOYSA-N
Compound name
3-[(3-bromophenyl)methylidene]azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.99966 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.00694 138.4
[M+Na]+ 245.98888 138.7
[M+NH4]+ 241.03348 140.4
[M+K]+ 261.96282 139.3
[M-H]- 221.99238 137.6
[M+Na-2H]- 243.97433 141.1
[M]+ 222.99911 136.1
[M]- 223.00021 136.1
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

No patent data available for this compound.