CID 18462343

61747-22-6

Structural Information

Molecular Formula
C13H16F3NO2
SMILES
COCCCC/C(=N/O)/C1=CC=C(C=C1)C(F)(F)F
InChI
InChI=1S/C13H16F3NO2/c1-19-9-3-2-4-12(17-18)10-5-7-11(8-6-10)13(14,15)16/h5-8,18H,2-4,9H2,1H3/b17-12-
InChIKey
UDCRPPVSQRFBKJ-ATVHPVEESA-N
Compound name
(NZ)-N-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

22
Patents

275.1133 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.120576 160.3
[M+Na]+ 298.102518 166.7
[M-H]- 274.106024 159.6
[M+NH4]+ 293.147123 176.2
[M+K]+ 314.076458 163.8
[M+H-H2O]+ 258.110560 151.1
[M+HCOO]- 320.111501 179.4
[M+CH3COO]- 334.127151 200.6
[M+Na-2H]- 296.087966 163.6
[M]+ 275.11275142 158.6
[M]- 275.11384858 158.6
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