CID 13979062

1-(2,4-dihydroxyphenyl)-2,2,3,3,4,4,4-heptafluorobutan-1-one

Structural Information

Molecular Formula
C10H5F7O3
SMILES
C1=CC(=C(C=C1O)O)C(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H5F7O3/c11-8(12,9(13,14)10(15,16)17)7(20)5-2-1-4(18)3-6(5)19/h1-3,18-19H
InChIKey
KOMNASVXVBACPE-UHFFFAOYSA-N
Compound name
1-(2,4-dihydroxyphenyl)-2,2,3,3,4,4,4-heptafluorobutan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

306.0127 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.01998 155.1
[M+Na]+ 329.00192 164.5
[M-H]- 305.00542 147.9
[M+NH4]+ 324.04652 168.5
[M+K]+ 344.97586 160.7
[M+H-H2O]+ 289.00996 145.0
[M+HCOO]- 351.01090 163.8
[M+CH3COO]- 365.02655 198.2
[M+Na-2H]- 326.98737 157.9
[M]+ 306.01215 144.7
[M]- 306.01325 144.7
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

No patent data available for this compound.