CID 543376

85706-52-1

Structural Information

Molecular Formula

C₁₀H₁₃Br₃O

SMILES

CC1(C2CCC1(C(=O)C2Br)CBr)CBr

InChI

InChI=1S/C10H13Br3O/c1-9(4-11)6-2-3-10(9,5-12)8(14)7(6)13/h6-7H,2-5H2,1H3

InChIKey

FYVXSJHUBPYLLD-UHFFFAOYSA-N

Compound name

3-bromo-1,7-bis(bromomethyl)-7-methylbicyclo[2.2.1]heptan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 385.85165 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	386.85893	156.6
[M+Na]+	408.84087	166.1
[M-H]-	384.84437	162.3
[M+NH4]+	403.88547	176.2
[M+K]+	424.81481	151.3
[M+H-H2O]+	368.84891	173.4
[M+HCOO]-	430.84985	165.8
[M+CH3COO]-	444.86550	222.8
[M+Na-2H]-	406.82632	160.4
[M]+	385.85110	197.7
[M]-	385.85220	197.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe