CID 36724

Chloropentadecane

Structural Information

Molecular Formula
C15H31Cl
SMILES
CCCCCCCCCCCCC(CC)Cl
InChI
InChI=1S/C15H31Cl/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)4-2/h15H,3-14H2,1-2H3
InChIKey
URFYQNIWBJYVEA-UHFFFAOYSA-N
Compound name
3-chloropentadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

246.21143 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.21871 166.4
[M+Na]+ 269.20065 170.5
[M-H]- 245.20415 165.0
[M+NH4]+ 264.24525 185.0
[M+K]+ 285.17459 166.1
[M+H-H2O]+ 229.20869 161.4
[M+HCOO]- 291.20963 181.7
[M+CH3COO]- 305.22528 199.2
[M+Na-2H]- 267.18610 166.9
[M]+ 246.21088 172.2
[M]- 246.21198 172.2
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