CID 19102317

84473-81-4

Structural Information

Molecular Formula

C₁₀H₁₃ClO

SMILES

CC1(C2CC(C1C(=O)Cl)C=C2)C

InChI

InChI=1S/C10H13ClO/c1-10(2)7-4-3-6(5-7)8(10)9(11)12/h3-4,6-8H,5H2,1-2H3

InChIKey

XUCYGPULSFEFCE-UHFFFAOYSA-N

Compound name

3,3-dimethylbicyclo[2.2.1]hept-5-ene-2-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 184.06549 Da
Monoisotopic Mass: 3.0
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]+	185.072766	141.9
[M+Na]+	207.054708	152.1
[M-H]-	183.058214	145.4
[M+NH4]+	202.099313	170.1
[M+K]+	223.028648	147.9
[M+H-H2O]+	167.062750	139.4
[M+HCOO]-	229.063691	159.1
[M+CH3COO]-	243.079341	181.8
[M+Na-2H]-	205.040156	144.7
[M]+	184.06494142	144.3
[M]-	184.06603858	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe