CID 2774062

2,2-difluoro-1,3-benzodioxole-4-carbonyl chloride

Structural Information

Molecular Formula
C8H3ClF2O3
SMILES
C1=CC(=C2C(=C1)OC(O2)(F)F)C(=O)Cl
InChI
InChI=1S/C8H3ClF2O3/c9-7(12)4-2-1-3-5-6(4)14-8(10,11)13-5/h1-3H
InChIKey
URZQSPHXJREUFT-UHFFFAOYSA-N
Compound name
2,2-difluoro-1,3-benzodioxole-4-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

143
Patents

219.97388 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.981156 135.7
[M+Na]+ 242.963098 147.6
[M-H]- 218.966604 139.7
[M+NH4]+ 238.007703 157.4
[M+K]+ 258.937038 146.1
[M+H-H2O]+ 202.971140 130.9
[M+HCOO]- 264.972081 151.1
[M+CH3COO]- 278.987731 183.4
[M+Na-2H]- 240.948546 143.0
[M]+ 219.97333142 138.5
[M]- 219.97442858 138.5
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