CID 118434358

3-chloro-5-(difluoromethoxy)picolinaldehyde

Structural Information

Molecular Formula
C7H4ClF2NO2
SMILES
C1=C(C=NC(=C1Cl)C=O)OC(F)F
InChI
InChI=1S/C7H4ClF2NO2/c8-5-1-4(13-7(9)10)2-11-6(5)3-12/h1-3,7H
InChIKey
HACYMOOSIZTQLP-UHFFFAOYSA-N
Compound name
3-chloro-5-(difluoromethoxy)pyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

206.98987 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.99715 132.6
[M+Na]+ 229.97909 143.5
[M-H]- 205.98259 132.8
[M+NH4]+ 225.02369 151.3
[M+K]+ 245.95303 140.1
[M+H-H2O]+ 189.98713 125.5
[M+HCOO]- 251.98807 149.5
[M+CH3COO]- 266.00372 183.5
[M+Na-2H]- 227.96454 137.9
[M]+ 206.98932 134.3
[M]- 206.99042 134.3
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