CID 60967

Pentabromoethane

Structural Information

Molecular Formula
C2HBr5
SMILES
C(C(Br)(Br)Br)(Br)Br
InChI
InChI=1S/C2HBr5/c3-1(4)2(5,6)7/h1H
InChIKey
OGVPXEPSTZMAFF-UHFFFAOYSA-N
Compound name
1,1,1,2,2-pentabromoethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1223
Patents

419.59952 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.60680 164.9
[M+Na]+ 442.58874 172.8
[M-H]- 418.59224 168.1
[M+NH4]+ 437.63334 173.1
[M+K]+ 458.56268 160.6
[M+H-H2O]+ 402.59678 182.2
[M+HCOO]- 464.59772 168.2
[M+CH3COO]- 478.61337 242.3
[M+Na-2H]- 440.57419 165.5
[M]+ 419.59897 194.7
[M]- 419.60007 194.7
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