CID 75562

Chlorocycloheptane

Structural Information

Molecular Formula
C7H13Cl
SMILES
C1CCCC(CC1)Cl
InChI
InChI=1S/C7H13Cl/c8-7-5-3-1-2-4-6-7/h7H,1-6H2
InChIKey
KMJSGLZXFNSANB-UHFFFAOYSA-N
Compound name
chlorocycloheptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

384
Patents

132.07057 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.07785 121.7
[M+Na]+ 155.05979 126.2
[M-H]- 131.06329 125.1
[M+NH4]+ 150.10439 142.7
[M+K]+ 171.03373 127.7
[M+H-H2O]+ 115.06783 117.6
[M+HCOO]- 177.06877 137.5
[M+CH3COO]- 191.08442 173.0
[M+Na-2H]- 153.04524 127.4
[M]+ 132.07002 115.3
[M]- 132.07112 115.3
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