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

32
Patents

181.05391 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.061186 134.8
[M+Na]+ 204.043128 145.5
[M-H]- 180.046634 139.1
[M+NH4]+ 199.087733 148.2
[M+K]+ 220.017068 141.6
[M+H-H2O]+ 164.051170 127.2
[M+HCOO]- 226.052111 155.8
[M+CH3COO]- 240.067761 182.2
[M+Na-2H]- 202.028576 139.9
[M]+ 181.05336142 135.8
[M]- 181.05445858 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