CID 2782262

2-bromophenyl 2-nitro-4-(trifluoromethyl)phenyl ether

Structural Information

Molecular Formula
C13H7BrF3NO3
SMILES
C1=CC=C(C(=C1)OC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])Br
InChI
InChI=1S/C13H7BrF3NO3/c14-9-3-1-2-4-11(9)21-12-6-5-8(13(15,16)17)7-10(12)18(19)20/h1-7H
InChIKey
MEJCOJYNRIVQRG-UHFFFAOYSA-N
Compound name
1-(2-bromophenoxy)-2-nitro-4-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.95615 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.96343 172.7
[M+Na]+ 383.94537 183.9
[M-H]- 359.94887 178.5
[M+NH4]+ 378.98997 188.3
[M+K]+ 399.91931 168.1
[M+H-H2O]+ 343.95341 173.1
[M+HCOO]- 405.95435 191.3
[M+CH3COO]- 419.97000 202.8
[M+Na-2H]- 381.93082 179.5
[M]+ 360.95560 188.1
[M]- 360.95670 188.1
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

No patent data available for this compound.