CID 146155890

1,1-bis(bromomethyl)-2-(trifluoromethyl)cyclopropane

Structural Information

Molecular Formula
C6H7Br2F3
SMILES
C1C(C1(CBr)CBr)C(F)(F)F
InChI
InChI=1S/C6H7Br2F3/c7-2-5(3-8)1-4(5)6(9,10)11/h4H,1-3H2
InChIKey
UDYKKEBCBUMGRE-UHFFFAOYSA-N
Compound name
1,1-bis(bromomethyl)-2-(trifluoromethyl)cyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.88666 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.89394 147.4
[M+Na]+ 316.87588 160.8
[M-H]- 292.87938 152.4
[M+NH4]+ 311.92048 164.7
[M+K]+ 332.84982 144.9
[M+H-H2O]+ 276.88392 154.0
[M+HCOO]- 338.88486 160.1
[M+CH3COO]- 352.90051 204.6
[M+Na-2H]- 314.86133 154.0
[M]+ 293.88611 178.8
[M]- 293.88721 178.8
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.