CID 11367605

1-(4-chloro-phenyl)-2-methyl-but-3-en-1-ol

Structural Information

Molecular Formula
C11H13ClO
SMILES
CC(C=C)C(C1=CC=C(C=C1)Cl)O
InChI
InChI=1S/C11H13ClO/c1-3-8(2)11(13)9-4-6-10(12)7-5-9/h3-8,11,13H,1H2,2H3
InChIKey
UUZUQJOJASRJBK-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-methylbut-3-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

196.06549 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.07277 140.9
[M+Na]+ 219.05471 148.6
[M-H]- 195.05821 143.1
[M+NH4]+ 214.09931 160.6
[M+K]+ 235.02865 144.1
[M+H-H2O]+ 179.06275 136.6
[M+HCOO]- 241.06369 157.3
[M+CH3COO]- 255.07934 182.5
[M+Na-2H]- 217.04016 144.1
[M]+ 196.06494 141.6
[M]- 196.06604 141.6
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