CID 146075385

3-(2-bromoethyl)-1,1-difluorocyclobutane

Structural Information

Molecular Formula
C6H9BrF2
SMILES
C1C(CC1(F)F)CCBr
InChI
InChI=1S/C6H9BrF2/c7-2-1-5-3-6(8,9)4-5/h5H,1-4H2
InChIKey
PFPULISMDRWGSY-UHFFFAOYSA-N
Compound name
3-(2-bromoethyl)-1,1-difluorocyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.98557 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.99285 126.9
[M+Na]+ 220.97479 138.0
[M-H]- 196.97829 131.2
[M+NH4]+ 216.01939 145.9
[M+K]+ 236.94873 130.4
[M+H-H2O]+ 180.98283 123.4
[M+HCOO]- 242.98377 145.1
[M+CH3COO]- 256.99942 185.3
[M+Na-2H]- 218.96024 134.6
[M]+ 197.98502 150.0
[M]- 197.98612 150.0
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.