CID 86078002

867257-43-0

Structural Information

Molecular Formula

SMILES

C1CC2C(CC1O2)C(=O)Cl

InChI

InChI=1S/C7H9ClO2/c8-7(9)5-3-4-1-2-6(5)10-4/h4-6H,1-3H2

InChIKey

JJGKKDICTIBBCW-UHFFFAOYSA-N

Compound name

7-oxabicyclo[2.2.1]heptane-2-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 160.02911 Da
Monoisotopic Mass: 1.3
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]+	161.036386	133.8
[M+Na]+	183.018328	142.2
[M-H]-	159.021834	137.2
[M+NH4]+	178.062933	159.1
[M+K]+	198.992268	140.6
[M+H-H2O]+	143.026370	131.0
[M+HCOO]-	205.027311	149.7
[M+CH3COO]-	219.042961	174.5
[M+Na-2H]-	181.003776	137.6
[M]+	160.02856142	135.0
[M]-	160.02965858	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe