CID 2777531

2-(trifluoromethyl)maleic anhydride

Structural Information

Molecular Formula
C5HF3O3
SMILES
C1=C(C(=O)OC1=O)C(F)(F)F
InChI
InChI=1S/C5HF3O3/c6-5(7,8)2-1-3(9)11-4(2)10/h1H
InChIKey
YBZPZJWPSHBGOR-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)furan-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

397
Patents

165.98778 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.99506 121.8
[M+Na]+ 188.97700 132.7
[M-H]- 164.98050 123.1
[M+NH4]+ 184.02160 143.1
[M+K]+ 204.95094 132.6
[M+H-H2O]+ 148.98504 115.6
[M+HCOO]- 210.98598 142.3
[M+CH3COO]- 225.00163 174.2
[M+Na-2H]- 186.96245 127.9
[M]+ 165.98723 119.6
[M]- 165.98833 119.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe