CID 138040585

1-bromo-3-(trifluoromethyl)cyclobutane

Structural Information

Molecular Formula
C5H6BrF3
SMILES
C1C(CC1Br)C(F)(F)F
InChI
InChI=1S/C5H6BrF3/c6-4-1-3(2-4)5(7,8)9/h3-4H,1-2H2
InChIKey
LHJMYJBLOMVORH-UHFFFAOYSA-N
Compound name
1-bromo-3-(trifluoromethyl)cyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

201.9605 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.967776 128.7
[M+Na]+ 224.949718 139.8
[M-H]- 200.953224 131.7
[M+NH4]+ 219.994323 145.6
[M+K]+ 240.923658 132.3
[M+H-H2O]+ 184.957760 123.6
[M+HCOO]- 246.958701 144.6
[M+CH3COO]- 260.974351 185.2
[M+Na-2H]- 222.935166 135.4
[M]+ 201.95995142 149.2
[M]- 201.96104858 149.2
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

patents stripe