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]+ 237.96736 139.5
[M+Na]+ 259.94930 153.3
[M-H]- 235.95280 143.8
[M+NH4]+ 254.99390 161.0
[M+K]+ 275.92324 141.7
[M+H-H2O]+ 219.95734 137.8
[M+HCOO]- 281.95828 160.4
[M+CH3COO]- 295.97393 191.5
[M+Na-2H]- 257.93475 144.7
[M]+ 236.95953 155.9
[M]- 236.96063 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.