CID 165871176

3-[(4-bromophenyl)methylidene]pyrrolidine hydrochloride

Structural Information

Molecular Formula
C11H12BrN
SMILES
C\1CNC/C1=C\C2=CC=C(C=C2)Br
InChI
InChI=1S/C11H12BrN/c12-11-3-1-9(2-4-11)7-10-5-6-13-8-10/h1-4,7,13H,5-6,8H2/b10-7-
InChIKey
XBHJXMIEVYQRQS-YFHOEESVSA-N
Compound name
(3Z)-3-[(4-bromophenyl)methylidene]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

237.0153 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.02258 148.7
[M+Na]+ 260.00452 158.7
[M-H]- 236.00802 154.9
[M+NH4]+ 255.04912 169.7
[M+K]+ 275.97846 146.2
[M+H-H2O]+ 220.01256 148.4
[M+HCOO]- 282.01350 167.2
[M+CH3COO]- 296.02915 162.5
[M+Na-2H]- 257.98997 153.5
[M]+ 237.01475 161.9
[M]- 237.01585 161.9
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