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]+ 193.02710 128.4
[M+Na]+ 215.00904 141.4
[M-H]- 191.01254 128.5
[M+NH4]+ 210.05364 149.1
[M+K]+ 230.98298 138.1
[M+H-H2O]+ 175.01708 120.4
[M+HCOO]- 237.01802 149.4
[M+CH3COO]- 251.03367 186.5
[M+Na-2H]- 212.99449 131.6
[M]+ 192.01927 125.9
[M]- 192.02037 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