CID 2783358

3-fluoro-4-(trifluoromethoxy)benzaldehyde

Structural Information

Molecular Formula
C8H4F4O2
SMILES
C1=CC(=C(C=C1C=O)F)OC(F)(F)F
InChI
InChI=1S/C8H4F4O2/c9-6-3-5(4-13)1-2-7(6)14-8(10,11)12/h1-4H
InChIKey
RQLRUBHAAVGRPW-UHFFFAOYSA-N
Compound name
3-fluoro-4-(trifluoromethoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

151
Patents

208.01474 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.02202 134.4
[M+Na]+ 231.00396 145.1
[M-H]- 207.00746 133.7
[M+NH4]+ 226.04856 153.7
[M+K]+ 246.97790 142.6
[M+H-H2O]+ 191.01200 126.0
[M+HCOO]- 253.01294 154.1
[M+CH3COO]- 267.02859 184.6
[M+Na-2H]- 228.98941 140.2
[M]+ 208.01419 131.6
[M]- 208.01529 131.6
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