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]+ 202.96778 128.7
[M+Na]+ 224.94972 139.8
[M-H]- 200.95322 131.7
[M+NH4]+ 219.99432 145.6
[M+K]+ 240.92366 132.3
[M+H-H2O]+ 184.95776 123.6
[M+HCOO]- 246.95870 144.6
[M+CH3COO]- 260.97435 185.2
[M+Na-2H]- 222.93517 135.4
[M]+ 201.95995 149.2
[M]- 201.96105 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