CID 2545748

852033-49-9

Structural Information

Molecular Formula
C9H9ClF3NO2
SMILES
C1=COC(=C1)CN(CC(F)(F)F)C(=O)CCl
InChI
InChI=1S/C9H9ClF3NO2/c10-4-8(15)14(6-9(11,12)13)5-7-2-1-3-16-7/h1-3H,4-6H2
InChIKey
KDQRVVWZCXJTOS-UHFFFAOYSA-N
Compound name
2-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.02739 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.03467 150.3
[M+Na]+ 278.01661 158.4
[M-H]- 254.02011 151.9
[M+NH4]+ 273.06121 168.8
[M+K]+ 293.99055 156.7
[M+H-H2O]+ 238.02465 142.7
[M+HCOO]- 300.02559 166.5
[M+CH3COO]- 314.04124 194.6
[M+Na-2H]- 276.00206 154.1
[M]+ 255.02684 151.4
[M]- 255.02794 151.4
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.