CID 170917015

1,1-bis(bromomethyl)-3,3-difluorocyclobutane

Structural Information

Molecular Formula
C6H8Br2F2
SMILES
C1C(CC1(F)F)(CBr)CBr
InChI
InChI=1S/C6H8Br2F2/c7-3-5(4-8)1-6(9,10)2-5/h1-4H2
InChIKey
OHQLAVSXIWQJNT-UHFFFAOYSA-N
Compound name
1,1-bis(bromomethyl)-3,3-difluorocyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.8961 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.90338 127.0
[M+Na]+ 298.88532 138.1
[M-H]- 274.88882 132.5
[M+NH4]+ 293.92992 145.2
[M+K]+ 314.85926 125.3
[M+H-H2O]+ 258.89336 133.2
[M+HCOO]- 320.89430 140.9
[M+CH3COO]- 334.90995 202.4
[M+Na-2H]- 296.87077 135.7
[M]+ 275.89555 164.6
[M]- 275.89665 164.6
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.