CID 165949193

Rac-(1r,2s)-1-bromo-2-(trifluoromethyl)cyclopropane

Structural Information

Molecular Formula
C4H4BrF3
SMILES
C1[C@H]([C@@H]1Br)C(F)(F)F
InChI
InChI=1S/C4H4BrF3/c5-3-1-2(3)4(6,7)8/h2-3H,1H2/t2-,3-/m1/s1
InChIKey
UTBPILYWBNOGKM-PWNYCUMCSA-N
Compound name
trans-(1R,2S)-1-bromo-2-(trifluoromethyl)cyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.94485 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.952126 127.9
[M+Na]+ 210.934068 142.4
[M-H]- 186.937574 132.1
[M+NH4]+ 205.978673 146.8
[M+K]+ 226.908008 131.3
[M+H-H2O]+ 170.942110 126.0
[M+HCOO]- 232.943051 145.9
[M+CH3COO]- 246.958701 183.0
[M+Na-2H]- 208.919516 135.5
[M]+ 187.94430142 143.4
[M]- 187.94539858 143.4
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.