CID 2736775

1,2-dibromohexafluorocyclobutane

Structural Information

Molecular Formula
C4Br2F6
SMILES
C1(C(C(C1(F)Br)(F)Br)(F)F)(F)F
InChI
InChI=1S/C4Br2F6/c5-1(7)2(6,8)4(11,12)3(1,9)10
InChIKey
HLCPJMKKTKDOGB-UHFFFAOYSA-N
Compound name
1,2-dibromo-1,2,3,3,4,4-hexafluorocyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

319.8271 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.83438 131.8
[M+Na]+ 342.81632 146.1
[M-H]- 318.81982 134.9
[M+NH4]+ 337.86092 151.6
[M+K]+ 358.79026 132.7
[M+H-H2O]+ 302.82436 138.2
[M+HCOO]- 364.82530 143.1
[M+CH3COO]- 378.84095 208.1
[M+Na-2H]- 340.80177 139.8
[M]+ 319.82655 165.8
[M]- 319.82765 165.8
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