CID 135201378

7-bromo-2,2-difluoro-1,3-dioxaindan-4-amine

Structural Information

Molecular Formula
C7H4BrF2NO2
SMILES
C1=CC(=C2C(=C1N)OC(O2)(F)F)Br
InChI
InChI=1S/C7H4BrF2NO2/c8-3-1-2-4(11)6-5(3)12-7(9,10)13-6/h1-2H,11H2
InChIKey
CYNUOEYKXZSVIL-UHFFFAOYSA-N
Compound name
7-bromo-2,2-difluoro-1,3-benzodioxol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

250.93935 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.94663 144.1
[M+Na]+ 273.92857 158.4
[M-H]- 249.93207 150.5
[M+NH4]+ 268.97317 166.9
[M+K]+ 289.90251 149.3
[M+H-H2O]+ 233.93661 143.9
[M+HCOO]- 295.93755 162.9
[M+CH3COO]- 309.95320 189.9
[M+Na-2H]- 271.91402 152.4
[M]+ 250.93880 161.7
[M]- 250.93990 161.7
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