CID 58532395

1256822-25-9

Structural Information

Molecular Formula
C7H6FNO
SMILES
CC1=CC(=C(N=C1)C=O)F
InChI
InChI=1S/C7H6FNO/c1-5-2-6(8)7(4-10)9-3-5/h2-4H,1H3
InChIKey
VYEHORMIEVYVPA-UHFFFAOYSA-N
Compound name
3-fluoro-5-methylpyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

139.04333 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.05061 122.2
[M+Na]+ 162.03255 132.8
[M-H]- 138.03605 124.1
[M+NH4]+ 157.07715 143.2
[M+K]+ 178.00649 130.9
[M+H-H2O]+ 122.04059 115.7
[M+HCOO]- 184.04153 145.6
[M+CH3COO]- 198.05718 174.0
[M+Na-2H]- 160.01800 129.8
[M]+ 139.04278 122.4
[M]- 139.04388 122.4
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