CID 170232

(-)-camphanoyl chloride

Structural Information

Molecular Formula

C₁₀H₁₃ClO₃

SMILES

C[C@@]12CC[C@@](C1(C)C)(OC2=O)C(=O)Cl

InChI

InChI=1S/C10H13ClO3/c1-8(2)9(3)4-5-10(8,6(11)12)14-7(9)13/h4-5H2,1-3H3/t9-,10+/m0/s1

InChIKey

PAXWODJTHKJQDZ-VHSXEESVSA-N

Compound name

(1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 361
Patents: 216.05533 Da
Monoisotopic Mass: 2.3
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]+	217.06261	141.0
[M+Na]+	239.04455	152.3
[M-H]-	215.04805	145.4
[M+NH4]+	234.08915	170.3
[M+K]+	255.01849	149.6
[M+H-H2O]+	199.05259	140.8
[M+HCOO]-	261.05353	156.4
[M+CH3COO]-	275.06918	185.1
[M+Na-2H]-	237.03000	147.3
[M]+	216.05478	145.6
[M]-	216.05588	145.6

Literature stripe

literature stripe

Patent stripe

patents stripe