CID 3085549

Octadecane, 2-chloro-

Structural Information

Molecular Formula

C₁₈H₃₇Cl

SMILES

CCCCCCCCCCCCCCCC[C@H](C)Cl

InChI

InChI=1S/C18H37Cl/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19/h18H,3-17H2,1-2H3/t18-/m0/s1

InChIKey

CRXKQFPZJSBGCN-SFHVURJKSA-N

Compound name

(2S)-2-chlorooctadecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 79
Patents: 288.2584 Da
Monoisotopic Mass: 9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	289.26568	180.1
[M+Na]+	311.24762	183.0
[M-H]-	287.25112	178.1
[M+NH4]+	306.29222	197.0
[M+K]+	327.22156	177.8
[M+H-H2O]+	271.25566	174.4
[M+HCOO]-	333.25660	194.4
[M+CH3COO]-	347.27225	208.1
[M+Na-2H]-	309.23307	179.0
[M]+	288.25785	187.1
[M]-	288.25895	187.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe