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
(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]+ 202.96778 132.3
[M+Na]+ 224.94972 146.4
[M-H]- 200.95322 136.3
[M+NH4]+ 219.99432 150.7
[M+K]+ 240.92366 135.0
[M+H-H2O]+ 184.95776 130.2
[M+HCOO]- 246.95870 150.0
[M+CH3COO]- 260.97435 185.6
[M+Na-2H]- 222.93517 139.4
[M]+ 201.95995 148.1
[M]- 201.96105 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.