CID 23192118

2-(methoxy)-5-(trifluoromethoxy)benzylamine

Structural Information

Molecular Formula
C9H10F3NO2
SMILES
COC1=C(C=C(C=C1)OC(F)(F)F)CN
InChI
InChI=1S/C9H10F3NO2/c1-14-8-3-2-7(4-6(8)5-13)15-9(10,11)12/h2-4H,5,13H2,1H3
InChIKey
JGFONUZHXXBGTF-UHFFFAOYSA-N
Compound name
[2-methoxy-5-(trifluoromethoxy)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

221.06636 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07364 142.7
[M+Na]+ 244.05558 151.7
[M-H]- 220.05908 142.5
[M+NH4]+ 239.10018 161.0
[M+K]+ 260.02952 149.5
[M+H-H2O]+ 204.06362 134.5
[M+HCOO]- 266.06456 163.3
[M+CH3COO]- 280.08021 189.8
[M+Na-2H]- 242.04103 147.6
[M]+ 221.06581 140.3
[M]- 221.06691 140.3
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