CID 57955529

4-bromo-3-fluoro-2-methoxyaniline

Structural Information

Molecular Formula
C7H7BrFNO
SMILES
COC1=C(C=CC(=C1F)Br)N
InChI
InChI=1S/C7H7BrFNO/c1-11-7-5(10)3-2-4(8)6(7)9/h2-3H,10H2,1H3
InChIKey
QMPCIJTZHLTURH-UHFFFAOYSA-N
Compound name
4-bromo-3-fluoro-2-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

218.9695 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.97678 136.1
[M+Na]+ 241.95872 149.1
[M-H]- 217.96222 141.4
[M+NH4]+ 237.00332 158.1
[M+K]+ 257.93266 137.9
[M+H-H2O]+ 201.96676 135.2
[M+HCOO]- 263.96770 158.1
[M+CH3COO]- 277.98335 187.8
[M+Na-2H]- 239.94417 142.6
[M]+ 218.96895 153.3
[M]- 218.97005 153.3
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

patents stripe