CID 22111566

5-bromopentane-1-sulfonyl chloride

Structural Information

Molecular Formula
C5H10BrClO2S
SMILES
C(CCS(=O)(=O)Cl)CCBr
InChI
InChI=1S/C5H10BrClO2S/c6-4-2-1-3-5-10(7,8)9/h1-5H2
InChIKey
UVHNXHFMUOSOKY-UHFFFAOYSA-N
Compound name
5-bromopentane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

247.92734 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.93462 133.9
[M+Na]+ 270.91656 147.2
[M-H]- 246.92006 137.8
[M+NH4]+ 265.96116 156.6
[M+K]+ 286.89050 134.1
[M+H-H2O]+ 230.92460 136.2
[M+HCOO]- 292.92554 145.7
[M+CH3COO]- 306.94119 184.9
[M+Na-2H]- 268.90201 140.3
[M]+ 247.92679 157.6
[M]- 247.92789 157.6
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