CID 2775291

4-methoxy-3-(trifluoromethyl)benzaldehyde

Structural Information

Molecular Formula
C9H7F3O2
SMILES
COC1=C(C=C(C=C1)C=O)C(F)(F)F
InChI
InChI=1S/C9H7F3O2/c1-14-8-3-2-6(5-13)4-7(8)9(10,11)12/h2-5H,1H3
InChIKey
UMZQFCFPWAFMRL-UHFFFAOYSA-N
Compound name
4-methoxy-3-(trifluoromethyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

204.03981 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.04709 146.3
[M+Na]+ 227.02903 156.1
[M+NH4]+ 222.07363 151.8
[M+K]+ 243.00297 150.7
[M-H]- 203.03253 143.1
[M+Na-2H]- 225.01448 150.4
[M]+ 204.03926 146.6
[M]- 204.04036 146.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe