CID 25641521

Schembl4813469

Structural Information

Molecular Formula
C10H8FNO
SMILES
C#CCNC(=O)C1=CC(=CC=C1)F
InChI
InChI=1S/C10H8FNO/c1-2-6-12-10(13)8-4-3-5-9(11)7-8/h1,3-5,7H,6H2,(H,12,13)
InChIKey
ZFSJHFNFCMTXOZ-UHFFFAOYSA-N
Compound name
3-fluoro-N-prop-2-ynylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

177.05899 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06627 137.4
[M+Na]+ 200.04821 147.1
[M-H]- 176.05171 138.3
[M+NH4]+ 195.09281 154.9
[M+K]+ 216.02215 143.0
[M+H-H2O]+ 160.05625 124.7
[M+HCOO]- 222.05719 155.2
[M+CH3COO]- 236.07284 190.6
[M+Na-2H]- 198.03366 141.7
[M]+ 177.05844 130.1
[M]- 177.05954 130.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe