CID 141136680

2-bromo-3,5-difluoro-4-methoxyaniline

Structural Information

Molecular Formula
C7H6BrF2NO
SMILES
COC1=C(C=C(C(=C1F)Br)N)F
InChI
InChI=1S/C7H6BrF2NO/c1-12-7-3(9)2-4(11)5(8)6(7)10/h2H,11H2,1H3
InChIKey
OGOCMIJVFVKSHN-UHFFFAOYSA-N
Compound name
2-bromo-3,5-difluoro-4-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.96008 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.967356 139.5
[M+Na]+ 259.949298 153.3
[M-H]- 235.952804 143.8
[M+NH4]+ 254.993903 161.0
[M+K]+ 275.923238 141.7
[M+H-H2O]+ 219.957340 137.8
[M+HCOO]- 281.958281 160.4
[M+CH3COO]- 295.973931 191.5
[M+Na-2H]- 257.934746 144.7
[M]+ 236.95953142 155.9
[M]- 236.96062858 155.9
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.