CID 43184751

2-chloro-n-(2,2-difluoro-2h-1,3-benzodioxol-5-yl)propanamide

Structural Information

Molecular Formula
C10H8ClF2NO3
SMILES
CC(C(=O)NC1=CC2=C(C=C1)OC(O2)(F)F)Cl
InChI
InChI=1S/C10H8ClF2NO3/c1-5(11)9(15)14-6-2-3-7-8(4-6)17-10(12,13)16-7/h2-5H,1H3,(H,14,15)
InChIKey
HEJRVSZXCMJVSZ-UHFFFAOYSA-N
Compound name
2-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.01608 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.02336 151.2
[M+Na]+ 286.00530 161.1
[M-H]- 262.00880 154.8
[M+NH4]+ 281.04990 170.7
[M+K]+ 301.97924 159.5
[M+H-H2O]+ 246.01334 145.7
[M+HCOO]- 308.01428 165.9
[M+CH3COO]- 322.02993 194.6
[M+Na-2H]- 283.99075 156.5
[M]+ 263.01553 153.3
[M]- 263.01663 153.3
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.