CID 165947738

2694734-17-1

Structural Information

Molecular Formula
C5H8ClFO2S
SMILES
C1C(CC1S(=O)(=O)Cl)CF
InChI
InChI=1S/C5H8ClFO2S/c6-10(8,9)5-1-4(2-5)3-7/h4-5H,1-3H2
InChIKey
OKPUKLJKBHTPPE-UHFFFAOYSA-N
Compound name
3-(fluoromethyl)cyclobutane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.99176 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.99904 123.8
[M+Na]+ 208.98098 131.6
[M-H]- 184.98448 126.4
[M+NH4]+ 204.02558 138.5
[M+K]+ 224.95492 131.3
[M+H-H2O]+ 168.98902 114.2
[M+HCOO]- 230.98996 134.8
[M+CH3COO]- 245.00561 179.8
[M+Na-2H]- 206.96643 127.2
[M]+ 185.99121 134.3
[M]- 185.99231 134.3
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.