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

5152
Patents

183.01318 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.020456 126.4
[M+Na]+ 206.002398 140.2
[M-H]- 182.005904 129.6
[M+NH4]+ 201.047003 146.6
[M+K]+ 221.976338 137.2
[M+H-H2O]+ 166.010440 113.9
[M+HCOO]- 228.011381 144.0
[M+CH3COO]- 242.027031 140.1
[M+Na-2H]- 203.987846 135.1
[M]+ 183.01263142 122.0
[M]- 183.01372858 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