CID 129498201

2173998-96-2

Structural Information

Molecular Formula
C5H7BrF2
SMILES
C[C@@H]1[C@H](C1(F)F)CBr
InChI
InChI=1S/C5H7BrF2/c1-3-4(2-6)5(3,7)8/h3-4H,2H2,1H3/t3-,4-/m1/s1
InChIKey
DEXKNCFRHYBDIL-QWWZWVQMSA-N
Compound name
trans-(2R,3R)-2-(bromomethyl)-1,1-difluoro-3-methylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.96992 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.977196 126.7
[M+Na]+ 206.959138 141.8
[M-H]- 182.962644 132.5
[M+NH4]+ 202.003743 147.8
[M+K]+ 222.933078 131.4
[M+H-H2O]+ 166.967180 126.6
[M+HCOO]- 228.968121 146.5
[M+CH3COO]- 242.983771 184.0
[M+Na-2H]- 204.944586 134.6
[M]+ 183.96937142 145.2
[M]- 183.97046858 145.2
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

No patent data available for this compound.