CID 118197

2-chlorotetradecane

Structural Information

Molecular Formula
C14H29Cl
SMILES
CCCCCCCCCCCCC(C)Cl
InChI
InChI=1S/C14H29Cl/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15/h14H,3-13H2,1-2H3
InChIKey
BDOUIUPFTBUPNU-UHFFFAOYSA-N
Compound name
2-chlorotetradecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

232.19579 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.203066 161.8
[M+Na]+ 255.185008 166.3
[M-H]- 231.188514 160.6
[M+NH4]+ 250.229613 180.9
[M+K]+ 271.158948 162.2
[M+H-H2O]+ 215.193050 157.0
[M+HCOO]- 277.193991 177.4
[M+CH3COO]- 291.209641 196.2
[M+Na-2H]- 253.170456 162.9
[M]+ 232.19524142 167.2
[M]- 232.19633858 167.2
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