CID 3417861

1744-12-3

Structural Information

Molecular Formula
C7H6F2N2O2
SMILES
C1=C(C(=CC2=C1OC(O2)(F)F)N)N
InChI
InChI=1S/C7H6F2N2O2/c8-7(9)12-5-1-3(10)4(11)2-6(5)13-7/h1-2H,10-11H2
InChIKey
CIEFLILRAGWNHE-UHFFFAOYSA-N
Compound name
2,2-difluoro-1,3-benzodioxole-5,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

188.03973 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.047006 132.4
[M+Na]+ 211.028948 143.3
[M-H]- 187.032454 135.8
[M+NH4]+ 206.073553 153.7
[M+K]+ 227.002888 142.5
[M+H-H2O]+ 171.036990 126.3
[M+HCOO]- 233.037931 153.9
[M+CH3COO]- 247.053581 184.4
[M+Na-2H]- 209.014396 139.8
[M]+ 188.03918142 129.7
[M]- 188.04027858 129.7
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