CID 303010

1-butoxy-4-chlorobenzene

Structural Information

Molecular Formula
C10H13ClO
SMILES
CCCCOC1=CC=C(C=C1)Cl
InChI
InChI=1S/C10H13ClO/c1-2-3-8-12-10-6-4-9(11)5-7-10/h4-7H,2-3,8H2,1H3
InChIKey
HYGHLCXEDCMMHU-UHFFFAOYSA-N
Compound name
1-butoxy-4-chlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

165
Patents

184.06549 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07277 137.1
[M+Na]+ 207.05471 145.9
[M-H]- 183.05821 140.7
[M+NH4]+ 202.09931 158.3
[M+K]+ 223.02865 142.3
[M+H-H2O]+ 167.06275 132.4
[M+HCOO]- 229.06369 157.1
[M+CH3COO]- 243.07934 181.4
[M+Na-2H]- 205.04016 143.8
[M]+ 184.06494 141.2
[M]- 184.06604 141.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe