CID 13268012

91162-06-0

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

21
Patents

192.01982 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.027096 128.4
[M+Na]+ 215.009038 141.4
[M-H]- 191.012544 128.5
[M+NH4]+ 210.053643 149.1
[M+K]+ 230.982978 138.1
[M+H-H2O]+ 175.017080 120.4
[M+HCOO]- 237.018021 149.4
[M+CH3COO]- 251.033671 186.5
[M+Na-2H]- 212.994486 131.6
[M]+ 192.01927142 125.9
[M]- 192.02036858 125.9
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