CID 12228222

1-chlorocyclohexanecarbonyl chloride

Structural Information

Molecular Formula
C7H10Cl2O
SMILES
C1CCC(CC1)(C(=O)Cl)Cl
InChI
InChI=1S/C7H10Cl2O/c8-6(10)7(9)4-2-1-3-5-7/h1-5H2
InChIKey
AWIAZXPQRSJZCF-UHFFFAOYSA-N
Compound name
1-chlorocyclohexane-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

180.01086 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.01814 133.4
[M+Na]+ 203.00008 140.5
[M-H]- 179.00358 135.8
[M+NH4]+ 198.04468 156.1
[M+K]+ 218.97402 136.8
[M+H-H2O]+ 163.00812 130.7
[M+HCOO]- 225.00906 144.1
[M+CH3COO]- 239.02471 176.8
[M+Na-2H]- 200.98553 138.3
[M]+ 180.01031 131.5
[M]- 180.01141 131.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe