CID 2775356

85706-53-2

Structural Information

Molecular Formula

C₁₀H₁₄Br₂O

SMILES

CC1(C2CCC1(C(=O)C2)CBr)CBr

InChI

InChI=1S/C10H14Br2O/c1-9(5-11)7-2-3-10(9,6-12)8(13)4-7/h7H,2-6H2,1H3

InChIKey

VWJROIUSFOLGSX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 32
Patents: 307.94113 Da
Monoisotopic Mass: 2.6
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]+	308.94841	154.7
[M+Na]+	330.93035	166.9
[M-H]-	306.93385	161.4
[M+NH4]+	325.97495	180.8
[M+K]+	346.90429	151.9
[M+H-H2O]+	290.93839	165.3
[M+HCOO]-	352.93933	169.1
[M+CH3COO]-	366.95498	204.4
[M+Na-2H]-	328.91580	160.2
[M]+	307.94058	188.8
[M]-	307.94168	188.8

Literature stripe

literature stripe

Patent stripe

patents stripe