CID 98915

1-adamantanecarbonyl chloride

Structural Information

Molecular Formula
C11H15ClO
SMILES
C1C2CC3CC1CC(C2)(C3)C(=O)Cl
InChI
InChI=1S/C11H15ClO/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2
InChIKey
MIBQYWIOHFTKHD-UHFFFAOYSA-N
Compound name
adamantane-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

3327
Patents

198.08115 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.08843 145.2
[M+Na]+ 221.07037 148.9
[M-H]- 197.07387 140.8
[M+NH4]+ 216.11497 172.1
[M+K]+ 237.04431 144.7
[M+H-H2O]+ 181.07841 140.8
[M+HCOO]- 243.07935 148.2
[M+CH3COO]- 257.09500 154.6
[M+Na-2H]- 219.05582 155.3
[M]+ 198.08060 146.2
[M]- 198.08170 146.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe