CID 13268012

2,3,5,6-tetrafluoro-4-methylbenzaldehyde

Structural Information

Molecular Formula
C8H4F4O
SMILES
CC1=C(C(=C(C(=C1F)F)C=O)F)F
InChI
InChI=1S/C8H4F4O/c1-3-5(9)7(11)4(2-13)8(12)6(3)10/h2H,1H3
InChIKey
ALLLVGGCCYIBQX-UHFFFAOYSA-N
Compound name
2,3,5,6-tetrafluoro-4-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

192.01982 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.02710 147.1
[M+Na]+ 215.00904 157.0
[M+NH4]+ 210.05364 152.2
[M+K]+ 230.98298 151.0
[M-H]- 191.01254 143.6
[M+Na-2H]- 212.99449 150.0
[M]+ 192.01927 147.2
[M]- 192.02037 147.2
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