CID 116988997

5-(2-chloroethyl)-2,2-difluoro-2h-1,3-benzodioxole

Structural Information

Molecular Formula
C9H7ClF2O2
SMILES
C1=CC2=C(C=C1CCCl)OC(O2)(F)F
InChI
InChI=1S/C9H7ClF2O2/c10-4-3-6-1-2-7-8(5-6)14-9(11,12)13-7/h1-2,5H,3-4H2
InChIKey
MGMBFGMMPWSYMJ-UHFFFAOYSA-N
Compound name
5-(2-chloroethyl)-2,2-difluoro-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.01027 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.01755 138.6
[M+Na]+ 242.99949 150.3
[M-H]- 219.00299 142.3
[M+NH4]+ 238.04409 160.5
[M+K]+ 258.97343 148.1
[M+H-H2O]+ 203.00753 133.5
[M+HCOO]- 265.00847 154.3
[M+CH3COO]- 279.02412 184.2
[M+Na-2H]- 240.98494 146.4
[M]+ 220.00972 141.6
[M]- 220.01082 141.6
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

No patent data available for this compound.