CID 137945335

2-(bromomethyl)-2-(trifluoromethyl)spiro[3.3]heptane

Structural Information

Molecular Formula
C9H12BrF3
SMILES
C1CC2(C1)CC(C2)(CBr)C(F)(F)F
InChI
InChI=1S/C9H12BrF3/c10-6-8(9(11,12)13)4-7(5-8)2-1-3-7/h1-6H2
InChIKey
PDDSBOQADQIQCG-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-2-(trifluoromethyl)spiro[3.3]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.00745 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.01473 135.8
[M+Na]+ 278.99667 145.0
[M-H]- 255.00017 140.8
[M+NH4]+ 274.04127 147.9
[M+K]+ 294.97061 139.8
[M+H-H2O]+ 239.00471 129.6
[M+HCOO]- 301.00565 148.8
[M+CH3COO]- 315.02130 201.2
[M+Na-2H]- 276.98212 143.5
[M]+ 256.00690 162.5
[M]- 256.00800 162.5
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.