CID 117717

2-bromo-2-ethylbutyryl bromide

Structural Information

Molecular Formula
C6H10Br2O
SMILES
CCC(CC)(C(=O)Br)Br
InChI
InChI=1S/C6H10Br2O/c1-3-6(8,4-2)5(7)9/h3-4H2,1-2H3
InChIKey
LUTZMJZHVATZQM-UHFFFAOYSA-N
Compound name
2-bromo-2-ethylbutanoyl bromide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

27
Patents

255.90984 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.917116 138.1
[M+Na]+ 278.899058 148.7
[M-H]- 254.902564 142.3
[M+NH4]+ 273.943663 158.6
[M+K]+ 294.872998 133.5
[M+H-H2O]+ 238.907100 146.5
[M+HCOO]- 300.908041 152.3
[M+CH3COO]- 314.923691 198.6
[M+Na-2H]- 276.884506 145.0
[M]+ 255.90929142 172.2
[M]- 255.91038858 172.2
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