CID 16213797

4-ethynyl-1-fluoro-2-methylbenzene

Structural Information

Molecular Formula
C9H7F
SMILES
CC1=C(C=CC(=C1)C#C)F
InChI
InChI=1S/C9H7F/c1-3-8-4-5-9(10)7(2)6-8/h1,4-6H,2H3
InChIKey
GSGKOWLZNQXGAI-UHFFFAOYSA-N
Compound name
4-ethynyl-1-fluoro-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

134.05318 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.06046 126.7
[M+Na]+ 157.04240 140.4
[M+NH4]+ 152.08700 132.3
[M+K]+ 173.01634 130.0
[M-H]- 133.04590 120.3
[M+Na-2H]- 155.02785 131.3
[M]+ 134.05263 126.1
[M]- 134.05373 126.1
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