CID 155821016

1-bromo-1-(trifluoromethyl)cyclopropane

Structural Information

Molecular Formula
C4H4BrF3
SMILES
C1CC1(C(F)(F)F)Br
InChI
InChI=1S/C4H4BrF3/c5-3(1-2-3)4(6,7)8/h1-2H2
InChIKey
OPMNGOSTRBPGKV-UHFFFAOYSA-N
Compound name
1-bromo-1-(trifluoromethyl)cyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.94485 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.95213 127.9
[M+Na]+ 210.93407 142.2
[M-H]- 186.93757 132.2
[M+NH4]+ 205.97867 148.4
[M+K]+ 226.90801 132.1
[M+H-H2O]+ 170.94211 127.2
[M+HCOO]- 232.94305 145.7
[M+CH3COO]- 246.95870 181.6
[M+Na-2H]- 208.91952 137.2
[M]+ 187.94430 143.7
[M]- 187.94540 143.7
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.