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]+ 273.034476 150.1
[M+Na]+ 295.016418 159.2
[M-H]- 271.019924 146.2
[M+NH4]+ 290.061023 166.1
[M+K]+ 310.990358 156.2
[M+H-H2O]+ 255.024460 139.6
[M+HCOO]- 317.025401 164.2
[M+CH3COO]- 331.041051 196.5
[M+Na-2H]- 293.001866 153.7
[M]+ 272.02665142 143.6
[M]- 272.02774858 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