CID 20324726

3-bromopropane-1-sulfonamide

Structural Information

Molecular Formula
C3H8BrNO2S
SMILES
C(CS(=O)(=O)N)CBr
InChI
InChI=1S/C3H8BrNO2S/c4-2-1-3-8(5,6)7/h1-3H2,(H2,5,6,7)
InChIKey
FYOYUUWBYQOIKW-UHFFFAOYSA-N
Compound name
3-bromopropane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

200.9459 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.95318 124.8
[M+Na]+ 223.93512 136.8
[M-H]- 199.93862 127.9
[M+NH4]+ 218.97972 147.5
[M+K]+ 239.90906 125.3
[M+H-H2O]+ 183.94316 125.2
[M+HCOO]- 245.94410 141.5
[M+CH3COO]- 259.95975 179.4
[M+Na-2H]- 221.92057 131.5
[M]+ 200.94535 144.3
[M]- 200.94645 144.3
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