CID 3807053

4-(1,1,2,3,3,3-hexafluoropropoxy)benzaldehyde

Structural Information

Molecular Formula
C10H6F6O2
SMILES
C1=CC(=CC=C1C=O)OC(C(C(F)(F)F)F)(F)F
InChI
InChI=1S/C10H6F6O2/c11-8(9(12,13)14)10(15,16)18-7-3-1-6(5-17)2-4-7/h1-5,8H
InChIKey
NAFDJEVVAKIWJK-UHFFFAOYSA-N
Compound name
4-(1,1,2,3,3,3-hexafluoropropoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

272.0272 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.03448 150.1
[M+Na]+ 295.01642 159.2
[M-H]- 271.01992 146.2
[M+NH4]+ 290.06102 166.1
[M+K]+ 310.99036 156.2
[M+H-H2O]+ 255.02446 139.6
[M+HCOO]- 317.02540 164.2
[M+CH3COO]- 331.04105 196.5
[M+Na-2H]- 293.00187 153.7
[M]+ 272.02665 143.6
[M]- 272.02775 143.6
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