CID 165997684

1-bromo-2,2-dimethylcyclopropane-1-sulfonyl chloride

Structural Information

Molecular Formula
C5H8BrClO2S
SMILES
CC1(CC1(S(=O)(=O)Cl)Br)C
InChI
InChI=1S/C5H8BrClO2S/c1-4(2)3-5(4,6)10(7,8)9/h3H2,1-2H3
InChIKey
LWAXXJKOQRNKNA-UHFFFAOYSA-N
Compound name
1-bromo-2,2-dimethylcyclopropane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.9117 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.91898 126.3
[M+Na]+ 268.90092 142.2
[M-H]- 244.90442 134.6
[M+NH4]+ 263.94552 148.0
[M+K]+ 284.87486 130.9
[M+H-H2O]+ 228.90896 130.5
[M+HCOO]- 290.90990 138.0
[M+CH3COO]- 304.92555 187.0
[M+Na-2H]- 266.88637 135.7
[M]+ 245.91115 151.6
[M]- 245.91225 151.6
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

No patent data available for this compound.