CID 62329644

3-[(4-bromophenyl)sulfanyl]pyrrolidine

Structural Information

Molecular Formula
C10H12BrNS
SMILES
C1CNCC1SC2=CC=C(C=C2)Br
InChI
InChI=1S/C10H12BrNS/c11-8-1-3-9(4-2-8)13-10-5-6-12-7-10/h1-4,10,12H,5-7H2
InChIKey
UPSQZZUZDOKRFM-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)sulfanylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.98737 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.99465 143.6
[M+Na]+ 279.97659 154.9
[M-H]- 255.98009 150.5
[M+NH4]+ 275.02119 164.9
[M+K]+ 295.95053 142.5
[M+H-H2O]+ 239.98463 144.2
[M+HCOO]- 301.98557 157.9
[M+CH3COO]- 316.00122 158.0
[M+Na-2H]- 277.96204 146.8
[M]+ 256.98682 159.9
[M]- 256.98792 159.9
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

No patent data available for this compound.