CID 167736840

Rac-(2r,3s)-2-(bromomethyl)-3-[(1z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-1,1-dimethylcyclopropane

Structural Information

Molecular Formula
C9H11BrClF3
SMILES
CC1([C@H]([C@H]1/C=C(/C(F)(F)F)\Cl)CBr)C
InChI
InChI=1S/C9H11BrClF3/c1-8(2)5(6(8)4-10)3-7(11)9(12,13)14/h3,5-6H,4H2,1-2H3/b7-3-/t5-,6+/m1/s1
InChIKey
APWSBCCXUMEGCO-ZENQWGKKSA-N
Compound name
(2S,3R)-2-(bromomethyl)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-1,1-dimethylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.96848 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.97576 147.3
[M+Na]+ 312.95770 162.1
[M-H]- 288.96120 151.2
[M+NH4]+ 308.00230 165.3
[M+K]+ 328.93164 148.4
[M+H-H2O]+ 272.96574 147.1
[M+HCOO]- 334.96668 158.7
[M+CH3COO]- 348.98233 199.6
[M+Na-2H]- 310.94315 151.9
[M]+ 289.96793 165.7
[M]- 289.96903 165.7
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.