CID 3056557

73806-06-1

Structural Information

Molecular Formula
C10H12F3NO4
SMILES
C1CC2C(C(C1O2)C(=O)NCC(F)(F)F)C(=O)O
InChI
InChI=1S/C10H12F3NO4/c11-10(12,13)3-14-8(15)6-4-1-2-5(18-4)7(6)9(16)17/h4-7H,1-3H2,(H,14,15)(H,16,17)
InChIKey
HVHSGVZIONVJBQ-UHFFFAOYSA-N
Compound name
3-(2,2,2-trifluoroethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.07184 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.07912 154.5
[M+Na]+ 290.06106 160.7
[M-H]- 266.06456 152.7
[M+NH4]+ 285.10566 173.6
[M+K]+ 306.03500 159.8
[M+H-H2O]+ 250.06910 148.8
[M+HCOO]- 312.07004 168.4
[M+CH3COO]- 326.08569 194.8
[M+Na-2H]- 288.04651 155.7
[M]+ 267.07129 150.4
[M]- 267.07239 150.4
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.