CID 163251693

4-bromo-6-fluoro-3-methoxybenzene-1,2-diamine hydrochloride

Structural Information

Molecular Formula
C7H8BrFN2O
SMILES
COC1=C(C=C(C(=C1N)N)F)Br
InChI
InChI=1S/C7H8BrFN2O/c1-12-7-3(8)2-4(9)5(10)6(7)11/h2H,10-11H2,1H3
InChIKey
NOLOXQVLRZFUDF-UHFFFAOYSA-N
Compound name
4-bromo-6-fluoro-3-methoxybenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

233.9804 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.98768 140.5
[M+Na]+ 256.96962 153.3
[M-H]- 232.97312 145.4
[M+NH4]+ 252.01422 161.4
[M+K]+ 272.94356 141.4
[M+H-H2O]+ 216.97766 138.7
[M+HCOO]- 278.97860 162.6
[M+CH3COO]- 292.99425 193.1
[M+Na-2H]- 254.95507 145.3
[M]+ 233.97985 156.2
[M]- 233.98095 156.2
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