CID 146034959

2-chloro-4-(difluoromethoxy)benzaldehyde

Structural Information

Molecular Formula
C8H5ClF2O2
SMILES
C1=CC(=C(C=C1OC(F)F)Cl)C=O
InChI
InChI=1S/C8H5ClF2O2/c9-7-3-6(13-8(10)11)2-1-5(7)4-12/h1-4,8H
InChIKey
DFCVRAYBBTVJAF-UHFFFAOYSA-N
Compound name
2-chloro-4-(difluoromethoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

205.99461 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.001886 133.2
[M+Na]+ 228.983828 143.8
[M-H]- 204.987334 134.8
[M+NH4]+ 224.028433 153.4
[M+K]+ 244.957768 140.2
[M+H-H2O]+ 188.991870 127.1
[M+HCOO]- 250.992811 151.2
[M+CH3COO]- 265.008461 183.9
[M+Na-2H]- 226.969276 137.9
[M]+ 205.99406142 134.9
[M]- 205.99515858 134.9
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