CID 43868

1-chloroheptadecane

Structural Information

Molecular Formula
C17H35Cl
SMILES
CCCCCCCCCCCCCCCCCCl
InChI
InChI=1S/C17H35Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h2-17H2,1H3
InChIKey
FGIOHOBVUCNHBY-UHFFFAOYSA-N
Compound name
1-chloroheptadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

191
Patents

274.24274 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.25002 174.9
[M+Na]+ 297.23196 178.4
[M-H]- 273.23546 173.0
[M+NH4]+ 292.27656 192.4
[M+K]+ 313.20590 173.1
[M+H-H2O]+ 257.24000 169.3
[M+HCOO]- 319.24094 190.5
[M+CH3COO]- 333.25659 204.4
[M+Na-2H]- 295.21741 175.6
[M]+ 274.24219 182.1
[M]- 274.24329 182.1
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