CID 14254246

3-bromothiolane

Structural Information

Molecular Formula
C4H7BrS
SMILES
C1CSCC1Br
InChI
InChI=1S/C4H7BrS/c5-4-1-2-6-3-4/h4H,1-3H2
InChIKey
OZEPBWJYTRMPSY-UHFFFAOYSA-N
Compound name
3-bromothiolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

165.94518 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.95246 122.3
[M+Na]+ 188.93440 134.4
[M-H]- 164.93790 129.1
[M+NH4]+ 183.97900 148.9
[M+K]+ 204.90834 124.6
[M+H-H2O]+ 148.94244 124.0
[M+HCOO]- 210.94338 139.2
[M+CH3COO]- 224.95903 172.6
[M+Na-2H]- 186.91985 127.2
[M]+ 165.94463 139.4
[M]- 165.94573 139.4
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

patents stripe