CID 50998639

3-bromo-2-(bromomethyl)-1,1,1-trifluoropropane

Structural Information

Molecular Formula
C4H5Br2F3
SMILES
C(C(CBr)C(F)(F)F)Br
InChI
InChI=1S/C4H5Br2F3/c5-1-3(2-6)4(7,8)9/h3H,1-2H2
InChIKey
IRARAEMEIJMJJN-UHFFFAOYSA-N
Compound name
3-bromo-2-(bromomethyl)-1,1,1-trifluoropropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

267.871 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.87828 142.6
[M+Na]+ 290.86022 153.8
[M-H]- 266.86372 143.9
[M+NH4]+ 285.90482 162.6
[M+K]+ 306.83416 138.1
[M+H-H2O]+ 250.86826 149.1
[M+HCOO]- 312.86920 154.6
[M+CH3COO]- 326.88485 199.1
[M+Na-2H]- 288.84567 148.3
[M]+ 267.87045 172.3
[M]- 267.87155 172.3
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