CID 130674384

3-bromo-1-(trifluoromethyl)cyclobutan-1-ol

Structural Information

Molecular Formula
C5H6BrF3O
SMILES
C1C(CC1(C(F)(F)F)O)Br
InChI
InChI=1S/C5H6BrF3O/c6-3-1-4(10,2-3)5(7,8)9/h3,10H,1-2H2
InChIKey
PHMOVHNUIWCSQS-UHFFFAOYSA-N
Compound name
3-bromo-1-(trifluoromethyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.95541 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.96269 132.6
[M+Na]+ 240.94463 143.8
[M-H]- 216.94813 134.6
[M+NH4]+ 235.98923 150.0
[M+K]+ 256.91857 135.9
[M+H-H2O]+ 200.95267 128.7
[M+HCOO]- 262.95361 147.3
[M+CH3COO]- 276.96926 184.1
[M+Na-2H]- 238.93008 139.8
[M]+ 217.95486 153.1
[M]- 217.95596 153.1
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.