CID 165592696

2731014-50-7

Structural Information

Molecular Formula
C6H9BrF2O
SMILES
C1C(CC1(C(F)F)O)CBr
InChI
InChI=1S/C6H9BrF2O/c7-3-4-1-6(10,2-4)5(8)9/h4-5,10H,1-3H2
InChIKey
CUAZDSGLCHZGQM-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-1-(difluoromethyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.98048 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.98776 133.3
[M+Na]+ 236.96970 143.3
[M-H]- 212.97320 136.1
[M+NH4]+ 232.01430 150.7
[M+K]+ 252.94364 135.7
[M+H-H2O]+ 196.97774 129.4
[M+HCOO]- 258.97868 149.1
[M+CH3COO]- 272.99433 185.3
[M+Na-2H]- 234.95515 138.9
[M]+ 213.97993 155.2
[M]- 213.98103 155.2
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.