CID 3016923

2-bromohexanoyl bromide

Structural Information

Molecular Formula
C6H10Br2O
SMILES
CCCCC(C(=O)Br)Br
InChI
InChI=1S/C6H10Br2O/c1-2-3-4-5(7)6(8)9/h5H,2-4H2,1H3
InChIKey
CSFUYRGXBNPTSR-UHFFFAOYSA-N
Compound name
2-bromohexanoyl bromide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

255.90984 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.91712 136.6
[M+Na]+ 278.89906 146.7
[M-H]- 254.90256 140.7
[M+NH4]+ 273.94366 157.0
[M+K]+ 294.87300 131.7
[M+H-H2O]+ 238.90710 144.6
[M+HCOO]- 300.90804 151.4
[M+CH3COO]- 314.92369 199.0
[M+Na-2H]- 276.88451 142.3
[M]+ 255.90929 170.6
[M]- 255.91039 170.6
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