CID 2773990

3,4-dibromo-1,1,1,2,2-pentafluorobutane

Structural Information

Molecular Formula
C4H3Br2F5
SMILES
C(C(C(C(F)(F)F)(F)F)Br)Br
InChI
InChI=1S/C4H3Br2F5/c5-1-2(6)3(7,8)4(9,10)11/h2H,1H2
InChIKey
LRKIMNKTUXHNLV-UHFFFAOYSA-N
Compound name
3,4-dibromo-1,1,1,2,2-pentafluorobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

303.85217 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.85945 153.9
[M+Na]+ 326.84139 165.3
[M-H]- 302.84489 153.3
[M+NH4]+ 321.88599 172.5
[M+K]+ 342.81533 149.1
[M+H-H2O]+ 286.84943 159.1
[M+HCOO]- 348.85037 162.9
[M+CH3COO]- 362.86602 203.8
[M+Na-2H]- 324.82684 158.3
[M]+ 303.85162 180.6
[M]- 303.85272 180.6
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