CID 71411683

4-bromo-3-(difluoromethoxy)aniline

Structural Information

Molecular Formula

C₇H₆BrF₂NO

SMILES

C1=CC(=C(C=C1N)OC(F)F)Br

InChI

InChI=1S/C7H6BrF2NO/c8-5-2-1-4(11)3-6(5)12-7(9)10/h1-3,7H,11H2

InChIKey

YDNMEBRTPBTYIQ-UHFFFAOYSA-N

Compound name

4-bromo-3-(difluoromethoxy)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 236.96008 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	237.96736	144.7
[M+Na]+	259.94930	146.3
[M+NH4]+	254.99390	148.4
[M+K]+	275.92324	146.6
[M-H]-	235.95280	143.1
[M+Na-2H]-	257.93475	146.7
[M]+	236.95953	143.1
[M]-	236.96063	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe