CID 155858310

2580209-06-7

Structural Information

Molecular Formula
C7H11BrF2S
SMILES
CSCC1(CC(C1)(F)F)CBr
InChI
InChI=1S/C7H11BrF2S/c1-11-5-6(4-8)2-7(9,10)3-6/h2-5H2,1H3
InChIKey
PKLXOVPKPHGDNW-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-3,3-difluoro-1-(methylsulfanylmethyl)cyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.9733 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.98058 125.7
[M+Na]+ 266.96252 136.6
[M-H]- 242.96602 130.0
[M+NH4]+ 262.00712 145.1
[M+K]+ 282.93646 128.3
[M+H-H2O]+ 226.97056 122.8
[M+HCOO]- 288.97150 138.6
[M+CH3COO]- 302.98715 191.3
[M+Na-2H]- 264.94797 132.0
[M]+ 243.97275 151.7
[M]- 243.97385 151.7
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.