CID 24721070

4-methoxy-3-(trifluoromethoxy)benzaldehyde

Structural Information

Molecular Formula
C9H7F3O3
SMILES
COC1=C(C=C(C=C1)C=O)OC(F)(F)F
InChI
InChI=1S/C9H7F3O3/c1-14-7-3-2-6(5-13)4-8(7)15-9(10,11)12/h2-5H,1H3
InChIKey
FFXBLEVIHWURLC-UHFFFAOYSA-N
Compound name
4-methoxy-3-(trifluoromethoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

220.03473 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.042006 139.4
[M+Na]+ 243.023948 149.6
[M-H]- 219.027454 139.9
[M+NH4]+ 238.068553 158.3
[M+K]+ 258.997888 147.8
[M+H-H2O]+ 203.031990 131.5
[M+HCOO]- 265.032931 160.1
[M+CH3COO]- 279.048581 186.8
[M+Na-2H]- 241.009396 145.3
[M]+ 220.03418142 139.6
[M]- 220.03527858 139.6
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