CID 14513183

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

Structural Information

Molecular Formula
C9H7FO
SMILES
C#CCOC1=CC=C(C=C1)F
InChI
InChI=1S/C9H7FO/c1-2-7-11-9-5-3-8(10)4-6-9/h1,3-6H,7H2
InChIKey
KVRJLSPSYFYNAA-UHFFFAOYSA-N
Compound name
1-fluoro-4-prop-2-ynoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

150.0481 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.055376 126.4
[M+Na]+ 173.037318 137.5
[M-H]- 149.040824 127.7
[M+NH4]+ 168.081923 145.5
[M+K]+ 189.011258 133.7
[M+H-H2O]+ 133.045360 114.4
[M+HCOO]- 195.046301 144.6
[M+CH3COO]- 209.061951 184.3
[M+Na-2H]- 171.022766 132.7
[M]+ 150.04755142 121.1
[M]- 150.04864858 121.1
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