CID 137701610

Rac-(1r,4s)-bicyclo[2.2.1]heptane-2-sulfonyl fluoride

Structural Information

Molecular Formula
C7H11FO2S
SMILES
C1C[C@@H]2C[C@H]1CC2S(=O)(=O)F
InChI
InChI=1S/C7H11FO2S/c8-11(9,10)7-4-5-1-2-6(7)3-5/h5-7H,1-4H2/t5-,6+,7?/m0/s1
InChIKey
XMJKKVGWMSVJNJ-GFCOJPQKSA-N
Compound name
(1R,4S)-bicyclo[2.2.1]heptane-2-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.04637 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.05365 137.1
[M+Na]+ 201.03559 146.2
[M-H]- 177.03909 139.2
[M+NH4]+ 196.08019 163.1
[M+K]+ 217.00953 144.5
[M+H-H2O]+ 161.04363 133.6
[M+HCOO]- 223.04457 152.2
[M+CH3COO]- 237.06022 175.9
[M+Na-2H]- 199.02104 139.3
[M]+ 178.04582 137.4
[M]- 178.04692 137.4
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.