CID 3015861

(2-chloro-1-ethoxyethyl)benzene

Structural Information

Molecular Formula
C10H13ClO
SMILES
CCOC(CCl)C1=CC=CC=C1
InChI
InChI=1S/C10H13ClO/c1-2-12-10(8-11)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
InChIKey
HYANGOOKKONSQK-UHFFFAOYSA-N
Compound name
(2-chloro-1-ethoxyethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

184.06549 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.072766 137.9
[M+Na]+ 207.054708 145.5
[M-H]- 183.058214 141.2
[M+NH4]+ 202.099313 158.6
[M+K]+ 223.028648 142.3
[M+H-H2O]+ 167.062750 133.0
[M+HCOO]- 229.063691 156.9
[M+CH3COO]- 243.079341 181.2
[M+Na-2H]- 205.040156 144.0
[M]+ 184.06494142 141.0
[M]- 184.06603858 141.0
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