CID 67904

3-bromo-1,1,1,2,2-pentafluoropropane

Structural Information

Molecular Formula
C3H2BrF5
SMILES
C(C(C(F)(F)F)(F)F)Br
InChI
InChI=1S/C3H2BrF5/c4-1-2(5,6)3(7,8)9/h1H2
InChIKey
HKAWJXVJGNTQMW-UHFFFAOYSA-N
Compound name
3-bromo-1,1,1,2,2-pentafluoropropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

53
Patents

211.926 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.93328 136.2
[M+Na]+ 234.91522 149.1
[M-H]- 210.91872 133.8
[M+NH4]+ 229.95982 158.4
[M+K]+ 250.88916 138.5
[M+H-H2O]+ 194.92326 134.2
[M+HCOO]- 256.92420 150.4
[M+CH3COO]- 270.93985 183.2
[M+Na-2H]- 232.90067 143.4
[M]+ 211.92545 147.2
[M]- 211.92655 147.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe