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

101
Patents

201.9605 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.96778 132.2
[M+Na]+ 224.94972 146.2
[M-H]- 200.95322 136.4
[M+NH4]+ 219.99432 152.2
[M+K]+ 240.92366 135.8
[M+H-H2O]+ 184.95776 131.4
[M+HCOO]- 246.95870 149.7
[M+CH3COO]- 260.97435 184.3
[M+Na-2H]- 222.93517 141.0
[M]+ 201.95995 148.3
[M]- 201.96105 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