CID 2782260

2-(bromomethyl)-1,1,1,3,3,3-hexafluoropropane

Structural Information

Molecular Formula
C4H3BrF6
SMILES
C(C(C(F)(F)F)C(F)(F)F)Br
InChI
InChI=1S/C4H3BrF6/c5-1-2(3(6,7)8)4(9,10)11/h2H,1H2
InChIKey
BQNGWIBVQDAJNJ-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-1,1,1,3,3,3-hexafluoropropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

243.93224 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.93952 145.0
[M+Na]+ 266.92146 157.3
[M-H]- 242.92496 141.2
[M+NH4]+ 261.96606 165.7
[M+K]+ 282.89540 146.4
[M+H-H2O]+ 226.92950 141.8
[M+HCOO]- 288.93044 156.8
[M+CH3COO]- 302.94609 188.9
[M+Na-2H]- 264.90691 149.7
[M]+ 243.93169 154.2
[M]- 243.93279 154.2
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