CID 165737526

[1-(bromomethyl)-3,3-difluorocyclobutyl]methanol

Structural Information

Molecular Formula
C6H9BrF2O
SMILES
C1C(CC1(F)F)(CO)CBr
InChI
InChI=1S/C6H9BrF2O/c7-3-5(4-10)1-6(8,9)2-5/h10H,1-4H2
InChIKey
WDTDFAVUHNKCTD-UHFFFAOYSA-N
Compound name
[1-(bromomethyl)-3,3-difluorocyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.98048 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.98776 130.4
[M+Na]+ 236.96970 141.6
[M-H]- 212.97320 133.7
[M+NH4]+ 232.01430 149.8
[M+K]+ 252.94364 133.6
[M+H-H2O]+ 196.97774 128.1
[M+HCOO]- 258.97868 147.3
[M+CH3COO]- 272.99433 184.4
[M+Na-2H]- 234.95515 138.5
[M]+ 213.97993 153.5
[M]- 213.98103 153.5
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.