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

117
Patents

188.03973 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.04701 132.4
[M+Na]+ 211.02895 143.3
[M-H]- 187.03245 135.8
[M+NH4]+ 206.07355 153.7
[M+K]+ 227.00289 142.5
[M+H-H2O]+ 171.03699 126.3
[M+HCOO]- 233.03793 153.9
[M+CH3COO]- 247.05358 184.4
[M+Na-2H]- 209.01440 139.8
[M]+ 188.03918 129.7
[M]- 188.04028 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