CID 53985039

4-(2,2,3,3,4,4,4-heptafluorobutoxy)benzaldehyde

Structural Information

Molecular Formula
C11H7F7O2
SMILES
C1=CC(=CC=C1C=O)OCC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H7F7O2/c12-9(13,10(14,15)11(16,17)18)6-20-8-3-1-7(5-19)2-4-8/h1-5H,6H2
InChIKey
KAWWGOMJWIPHRG-UHFFFAOYSA-N
Compound name
4-(2,2,3,3,4,4,4-heptafluorobutoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

21
Patents

304.03342 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.04070 158.2
[M+Na]+ 327.02264 167.6
[M-H]- 303.02614 153.2
[M+NH4]+ 322.06724 172.9
[M+K]+ 342.99658 164.0
[M+H-H2O]+ 287.03068 147.1
[M+HCOO]- 349.03162 170.3
[M+CH3COO]- 363.04727 202.2
[M+Na-2H]- 325.00809 162.8
[M]+ 304.03287 150.7
[M]- 304.03397 150.7
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