CID 34133

Benzene, (chloromethyl)dodecyl-

Structural Information

Molecular Formula
C19H31Cl
SMILES
CCCCCCCCCCCCC(C1=CC=CC=C1)Cl
InChI
InChI=1S/C19H31Cl/c1-2-3-4-5-6-7-8-9-10-14-17-19(20)18-15-12-11-13-16-18/h11-13,15-16,19H,2-10,14,17H2,1H3
InChIKey
ISXDOPCKEDRLAY-UHFFFAOYSA-N
Compound name
1-chlorotridecylbenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

125
Patents

294.21143 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.21871 176.9
[M+Na]+ 317.20065 180.6
[M-H]- 293.20415 178.3
[M+NH4]+ 312.24525 193.1
[M+K]+ 333.17459 174.4
[M+H-H2O]+ 277.20869 170.1
[M+HCOO]- 339.20963 192.4
[M+CH3COO]- 353.22528 206.2
[M+Na-2H]- 315.18610 177.8
[M]+ 294.21088 181.8
[M]- 294.21198 181.8
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