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]+ 188.952126 127.9
[M+Na]+ 210.934068 142.2
[M-H]- 186.937574 132.2
[M+NH4]+ 205.978673 148.4
[M+K]+ 226.908008 132.1
[M+H-H2O]+ 170.942110 127.2
[M+HCOO]- 232.943051 145.7
[M+CH3COO]- 246.958701 181.6
[M+Na-2H]- 208.919516 137.2
[M]+ 187.94430142 143.7
[M]- 187.94539858 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.