CID 2736962

135132-34-2

Structural Information

Molecular Formula
C8H3F2NO2
SMILES
C1=CC2=C(C=C1C#N)OC(O2)(F)F
InChI
InChI=1S/C8H3F2NO2/c9-8(10)12-6-2-1-5(4-11)3-7(6)13-8/h1-3H
InChIKey
VMJNTFXCTXAXTC-UHFFFAOYSA-N
Compound name
2,2-difluoro-1,3-benzodioxole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4338
Patents

183.01318 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.02046 126.4
[M+Na]+ 206.00240 140.2
[M-H]- 182.00590 129.6
[M+NH4]+ 201.04700 146.6
[M+K]+ 221.97634 137.2
[M+H-H2O]+ 166.01044 113.9
[M+HCOO]- 228.01138 144.0
[M+CH3COO]- 242.02703 140.1
[M+Na-2H]- 203.98785 135.1
[M]+ 183.01263 122.0
[M]- 183.01373 122.0
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