CID 3822448

867205-19-4

Structural Information

Molecular Formula
C11H12FNO
SMILES
C1CCN(C1)C2=C(C(=CC=C2)F)C=O
InChI
InChI=1S/C11H12FNO/c12-10-4-3-5-11(9(10)8-14)13-6-1-2-7-13/h3-5,8H,1-2,6-7H2
InChIKey
GCJAQWVHRQAPGF-UHFFFAOYSA-N
Compound name
2-fluoro-6-pyrrolidin-1-ylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

193.09029 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.09757 139.7
[M+Na]+ 216.07951 147.7
[M-H]- 192.08301 143.7
[M+NH4]+ 211.12411 159.6
[M+K]+ 232.05345 144.5
[M+H-H2O]+ 176.08755 131.8
[M+HCOO]- 238.08849 161.1
[M+CH3COO]- 252.10414 182.3
[M+Na-2H]- 214.06496 142.8
[M]+ 193.08974 136.6
[M]- 193.09084 136.6
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

No patent data available for this compound.