CID 11275105

1-(4-fluorophenyl)prop-2-yn-1-ol

Structural Information

Molecular Formula
C9H7FO
SMILES
C#CC(C1=CC=C(C=C1)F)O
InChI
InChI=1S/C9H7FO/c1-2-9(11)7-3-5-8(10)6-4-7/h1,3-6,9,11H
InChIKey
JZJFKHHTWIWOOH-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)prop-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

150.0481 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.055376 129.3
[M+Na]+ 173.037318 139.7
[M-H]- 149.040824 129.4
[M+NH4]+ 168.081923 147.7
[M+K]+ 189.011258 135.5
[M+H-H2O]+ 133.045360 117.6
[M+HCOO]- 195.046301 145.2
[M+CH3COO]- 209.061951 182.6
[M+Na-2H]- 171.022766 133.7
[M]+ 150.04755142 121.6
[M]- 150.04864858 121.6
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