CID 86277436

1-(bromomethyl)-1-(trifluoromethyl)cyclopropane

Structural Information

Molecular Formula
C5H6BrF3
SMILES
C1CC1(CBr)C(F)(F)F
InChI
InChI=1S/C5H6BrF3/c6-3-4(1-2-4)5(7,8)9/h1-3H2
InChIKey
IDLJEJIHDBHTEO-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-1-(trifluoromethyl)cyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
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 132.2
[M+Na]+ 224.949718 146.2
[M-H]- 200.953224 136.4
[M+NH4]+ 219.994323 152.2
[M+K]+ 240.923658 135.8
[M+H-H2O]+ 184.957760 131.4
[M+HCOO]- 246.958701 149.7
[M+CH3COO]- 260.974351 184.3
[M+Na-2H]- 222.935166 141.0
[M]+ 201.95995142 148.3
[M]- 201.96104858 148.3
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

patents stripe