CID 12999572

3-(4-bromophenoxy)pyrrolidine

Structural Information

Molecular Formula
C10H12BrNO
SMILES
C1CNCC1OC2=CC=C(C=C2)Br
InChI
InChI=1S/C10H12BrNO/c11-8-1-3-9(4-2-8)13-10-5-6-12-7-10/h1-4,10,12H,5-7H2
InChIKey
XOUVGXLUIDZSLH-UHFFFAOYSA-N
Compound name
3-(4-bromophenoxy)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

241.01022 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.01750 147.9
[M+Na]+ 263.99944 157.8
[M-H]- 240.00294 154.2
[M+NH4]+ 259.04404 168.6
[M+K]+ 279.97338 146.6
[M+H-H2O]+ 224.00748 147.4
[M+HCOO]- 286.00842 166.7
[M+CH3COO]- 300.02407 184.2
[M+Na-2H]- 261.98489 153.2
[M]+ 241.00967 162.8
[M]- 241.01077 162.8
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