CID 3613638

101011-90-9

Structural Information

Molecular Formula

C₇H₁₀Cl₂

SMILES

C1CC2CC1C(C2Cl)Cl

InChI

InChI=1S/C7H10Cl2/c8-6-4-1-2-5(3-4)7(6)9/h4-7H,1-3H2

InChIKey

FRNCOQMOHQNWML-UHFFFAOYSA-N

Compound name

2,3-dichlorobicyclo[2.2.1]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 164.01596 Da
Monoisotopic Mass: 2.7
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]+	165.023236	138.1
[M+Na]+	187.005178	147.9
[M-H]-	163.008684	140.2
[M+NH4]+	182.049783	165.1
[M+K]+	202.979118	142.9
[M+H-H2O]+	147.013220	135.4
[M+HCOO]-	209.014161	150.0
[M+CH3COO]-	223.029811	151.6
[M+Na-2H]-	184.990626	140.3
[M]+	164.01541142	138.2
[M]-	164.01650858	138.2

Literature stripe

literature stripe

Patent stripe

patents stripe