CID 54595104

2-azabicyclo[2.2.1]heptane-2-sulfonyl chloride

Structural Information

Molecular Formula
C6H10ClNO2S
SMILES
C1CC2CC1CN2S(=O)(=O)Cl
InChI
InChI=1S/C6H10ClNO2S/c7-11(9,10)8-4-5-1-2-6(8)3-5/h5-6H,1-4H2
InChIKey
JTJDUIZFCHPANH-UHFFFAOYSA-N
Compound name
2-azabicyclo[2.2.1]heptane-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

195.01208 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.01936 142.8
[M+Na]+ 218.00130 152.9
[M-H]- 194.00480 145.0
[M+NH4]+ 213.04590 167.7
[M+K]+ 233.97524 150.2
[M+H-H2O]+ 178.00934 139.9
[M+HCOO]- 240.01028 153.4
[M+CH3COO]- 254.02593 176.7
[M+Na-2H]- 215.98675 145.0
[M]+ 195.01153 145.9
[M]- 195.01263 145.9
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