CID 135263150

2-chloro-5-fluoro-3-methylpyridine-4-carbaldehyde

Structural Information

Molecular Formula
C7H5ClFNO
SMILES
CC1=C(C(=CN=C1Cl)F)C=O
InChI
InChI=1S/C7H5ClFNO/c1-4-5(3-11)6(9)2-10-7(4)8/h2-3H,1H3
InChIKey
XPRYHFSSUDYEQG-UHFFFAOYSA-N
Compound name
2-chloro-5-fluoro-3-methylpyridine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

173.00436 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.01164 127.1
[M+Na]+ 195.99358 139.3
[M-H]- 171.99708 129.0
[M+NH4]+ 191.03818 147.8
[M+K]+ 211.96752 135.4
[M+H-H2O]+ 156.00162 121.4
[M+HCOO]- 218.00256 145.9
[M+CH3COO]- 232.01821 179.0
[M+Na-2H]- 193.97903 133.5
[M]+ 173.00381 129.5
[M]- 173.00491 129.5
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