CID 146050041

2413900-57-7

Structural Information

Molecular Formula
C7H9ClO2S
SMILES
C1C2CC3C1C3C2S(=O)(=O)Cl
InChI
InChI=1S/C7H9ClO2S/c8-11(9,10)7-3-1-4-5(2-3)6(4)7/h3-7H,1-2H2
InChIKey
YWFJXMGZDQCYTB-UHFFFAOYSA-N
Compound name
tricyclo[2.2.1.02,6]heptane-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.00117 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.00845 140.0
[M+Na]+ 214.99039 152.1
[M-H]- 190.99389 142.9
[M+NH4]+ 210.03499 165.3
[M+K]+ 230.96433 147.6
[M+H-H2O]+ 174.99843 139.8
[M+HCOO]- 236.99937 148.8
[M+CH3COO]- 251.01502 153.6
[M+Na-2H]- 212.97584 145.0
[M]+ 192.00062 152.3
[M]- 192.00172 152.3
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

No patent data available for this compound.