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

0
Patents

205.99461 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.00189 133.2
[M+Na]+ 228.98383 143.8
[M-H]- 204.98733 134.8
[M+NH4]+ 224.02843 153.4
[M+K]+ 244.95777 140.2
[M+H-H2O]+ 188.99187 127.1
[M+HCOO]- 250.99281 151.2
[M+CH3COO]- 265.00846 183.9
[M+Na-2H]- 226.96928 137.9
[M]+ 205.99406 134.9
[M]- 205.99516 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

No patent data available for this compound.