CID 40427361

884494-96-6

Structural Information

Molecular Formula
C7H6FNO
SMILES
CC1=C(C=CC(=N1)F)C=O
InChI
InChI=1S/C7H6FNO/c1-5-6(4-10)2-3-7(8)9-5/h2-4H,1H3
InChIKey
IIVOXPOZSFRJJA-UHFFFAOYSA-N
Compound name
6-fluoro-2-methylpyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

139.04333 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.050606 122.2
[M+Na]+ 162.032548 132.8
[M-H]- 138.036054 124.1
[M+NH4]+ 157.077153 143.2
[M+K]+ 178.006488 130.9
[M+H-H2O]+ 122.040590 115.7
[M+HCOO]- 184.041531 145.6
[M+CH3COO]- 198.057181 174.0
[M+Na-2H]- 160.017996 129.8
[M]+ 139.04278142 122.4
[M]- 139.04387858 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