CID 67085644

1286776-52-0

Structural Information

Molecular Formula
C9H8FNO2
SMILES
C1CC1C2=CC(=C(N=C2)C(=O)O)F
InChI
InChI=1S/C9H8FNO2/c10-7-3-6(5-1-2-5)4-11-8(7)9(12)13/h3-5H,1-2H2,(H,12,13)
InChIKey
LIJOYGVWMSFEFL-UHFFFAOYSA-N
Compound name
5-cyclopropyl-3-fluoropyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

181.05391 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.06119 134.8
[M+Na]+ 204.04313 145.5
[M-H]- 180.04663 139.1
[M+NH4]+ 199.08773 148.2
[M+K]+ 220.01707 141.6
[M+H-H2O]+ 164.05117 127.2
[M+HCOO]- 226.05211 155.8
[M+CH3COO]- 240.06776 182.2
[M+Na-2H]- 202.02858 139.9
[M]+ 181.05336 135.8
[M]- 181.05446 135.8
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