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]+ 194.097566 139.7
[M+Na]+ 216.079508 147.7
[M-H]- 192.083014 143.7
[M+NH4]+ 211.124113 159.6
[M+K]+ 232.053448 144.5
[M+H-H2O]+ 176.087550 131.8
[M+HCOO]- 238.088491 161.1
[M+CH3COO]- 252.104141 182.3
[M+Na-2H]- 214.064956 142.8
[M]+ 193.08974142 136.6
[M]- 193.09083858 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

literature stripe

Patent stripe

patents stripe