CID 11768928

1-chloro-4-(prop-2-yn-1-yloxy)benzene

Structural Information

Molecular Formula
C9H7ClO
SMILES
C#CCOC1=CC=C(C=C1)Cl
InChI
InChI=1S/C9H7ClO/c1-2-7-11-9-5-3-8(10)4-6-9/h1,3-6H,7H2
InChIKey
USRMDNZIKVMDKH-UHFFFAOYSA-N
Compound name
1-chloro-4-prop-2-ynoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

166.01854 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.025816 130.9
[M+Na]+ 189.007758 143.0
[M-H]- 165.011264 133.4
[M+NH4]+ 184.052363 150.3
[M+K]+ 204.981698 137.4
[M+H-H2O]+ 149.015800 120.6
[M+HCOO]- 211.016741 146.0
[M+CH3COO]- 225.032391 185.4
[M+Na-2H]- 186.993206 137.2
[M]+ 166.01799142 128.4
[M]- 166.01908858 128.4
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