CID 138989254

2138217-83-9

Structural Information

Molecular Formula
C7H13FO2S
SMILES
CC1(CC(C1)CS(=O)(=O)F)C
InChI
InChI=1S/C7H13FO2S/c1-7(2)3-6(4-7)5-11(8,9)10/h6H,3-5H2,1-2H3
InChIKey
QNMQIMYVXLUDMQ-UHFFFAOYSA-N
Compound name
(3,3-dimethylcyclobutyl)methanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.06203 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06931 131.2
[M+Na]+ 203.05125 138.0
[M-H]- 179.05475 133.8
[M+NH4]+ 198.09585 147.2
[M+K]+ 219.02519 139.4
[M+H-H2O]+ 163.05929 121.6
[M+HCOO]- 225.06023 145.7
[M+CH3COO]- 239.07588 181.5
[M+Na-2H]- 201.03670 134.9
[M]+ 180.06148 141.1
[M]- 180.06258 141.1
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.