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

67
Patents

220.03473 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.04201 139.4
[M+Na]+ 243.02395 149.6
[M-H]- 219.02745 139.9
[M+NH4]+ 238.06855 158.3
[M+K]+ 258.99789 147.8
[M+H-H2O]+ 203.03199 131.5
[M+HCOO]- 265.03293 160.1
[M+CH3COO]- 279.04858 186.8
[M+Na-2H]- 241.00940 145.3
[M]+ 220.03418 139.6
[M]- 220.03528 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