CID 144740

3-bromopropane-1-thiol

Structural Information

Molecular Formula
C3H7BrS
SMILES
C(CS)CBr
InChI
InChI=1S/C3H7BrS/c4-2-1-3-5/h5H,1-3H2
InChIKey
PLMNEJBJFZHNGF-UHFFFAOYSA-N
Compound name
3-bromopropane-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

975
Patents

153.94518 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.95246 114.5
[M+Na]+ 176.93440 127.1
[M-H]- 152.93790 118.5
[M+NH4]+ 171.97900 140.0
[M+K]+ 192.90834 116.9
[M+H-H2O]+ 136.94244 116.1
[M+HCOO]- 198.94338 131.9
[M+CH3COO]- 212.95903 173.6
[M+Na-2H]- 174.91985 121.6
[M]+ 153.94463 135.2
[M]- 153.94573 135.2
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