CID 52420870

2092050-62-7

Structural Information

Molecular Formula
C5H6BrF3
SMILES
C1[C@H]([C@@H]1C(F)(F)F)CBr
InChI
InChI=1S/C5H6BrF3/c6-2-3-1-4(3)5(7,8)9/h3-4H,1-2H2/t3-,4+/m0/s1
InChIKey
DDNFMRMLLSCYSF-IUYQGCFVSA-N
Compound name
cis-(1R,2R)-1-(bromomethyl)-2-(trifluoromethyl)cyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.9605 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.967776 132.3
[M+Na]+ 224.949718 146.4
[M-H]- 200.953224 136.3
[M+NH4]+ 219.994323 150.7
[M+K]+ 240.923658 135.0
[M+H-H2O]+ 184.957760 130.2
[M+HCOO]- 246.958701 150.0
[M+CH3COO]- 260.974351 185.6
[M+Na-2H]- 222.935166 139.4
[M]+ 201.95995142 148.1
[M]- 201.96104858 148.1
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.