CID 113852

Eicosane, 2-chloro-

Structural Information

Molecular Formula
C20H41Cl
SMILES
CCCCCCCCCCCCCCCCCCC(C)Cl
InChI
InChI=1S/C20H41Cl/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)21/h20H,3-19H2,1-2H3
InChIKey
XCKHBAKSZUHYPM-UHFFFAOYSA-N
Compound name
2-chloroicosane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

316.28967 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.29695 189.2
[M+Na]+ 339.27889 191.2
[M-H]- 315.28239 186.8
[M+NH4]+ 334.32349 204.9
[M+K]+ 355.25283 185.4
[M+H-H2O]+ 299.28693 183.1
[M+HCOO]- 361.28787 202.8
[M+CH3COO]- 375.30352 214.0
[M+Na-2H]- 337.26434 187.0
[M]+ 316.28912 196.9
[M]- 316.29022 196.9
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