CID 2774064

127163-51-3

Structural Information

Molecular Formula
C8H3ClF2O3
SMILES
C1=CC2=C(C=C1C(=O)Cl)OC(O2)(F)F
InChI
InChI=1S/C8H3ClF2O3/c9-7(12)4-1-2-5-6(3-4)14-8(10,11)13-5/h1-3H
InChIKey
TWAYOQDEKAESKD-UHFFFAOYSA-N
Compound name
2,2-difluoro-1,3-benzodioxole-5-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

219.97388 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.98116 135.7
[M+Na]+ 242.96310 147.6
[M-H]- 218.96660 139.7
[M+NH4]+ 238.00770 157.4
[M+K]+ 258.93704 146.1
[M+H-H2O]+ 202.97114 130.9
[M+HCOO]- 264.97208 151.1
[M+CH3COO]- 278.98773 183.4
[M+Na-2H]- 240.94855 143.0
[M]+ 219.97333 138.5
[M]- 219.97443 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