CID 165947703

2694744-74-4

Structural Information

Molecular Formula
C7H11BrF2O2S
SMILES
CS(=O)(=O)CC1(CC(C1)(F)F)CBr
InChI
InChI=1S/C7H11BrF2O2S/c1-13(11,12)5-6(4-8)2-7(9,10)3-6/h2-5H2,1H3
InChIKey
PZWBQZKTDGKIIK-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-3,3-difluoro-1-(methylsulfonylmethyl)cyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.96313 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.97041 131.8
[M+Na]+ 298.95235 142.9
[M-H]- 274.95585 135.9
[M+NH4]+ 293.99695 149.7
[M+K]+ 314.92629 134.6
[M+H-H2O]+ 258.96039 129.0
[M+HCOO]- 320.96133 143.8
[M+CH3COO]- 334.97698 193.5
[M+Na-2H]- 296.93780 138.9
[M]+ 275.96258 158.6
[M]- 275.96368 158.6
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.