CID 2775638

5-methyl-2-(trifluoromethyl)furan-3-carbonyl chloride

Structural Information

Molecular Formula
C7H4ClF3O2
SMILES
CC1=CC(=C(O1)C(F)(F)F)C(=O)Cl
InChI
InChI=1S/C7H4ClF3O2/c1-3-2-4(6(8)12)5(13-3)7(9,10)11/h2H,1H3
InChIKey
YJUNYUKKNWEHBQ-UHFFFAOYSA-N
Compound name
5-methyl-2-(trifluoromethyl)furan-3-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

211.9852 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.99248 134.1
[M+Na]+ 234.97442 145.6
[M-H]- 210.97792 135.4
[M+NH4]+ 230.01902 154.6
[M+K]+ 250.94836 143.2
[M+H-H2O]+ 194.98246 128.3
[M+HCOO]- 256.98340 149.5
[M+CH3COO]- 270.99905 183.4
[M+Na-2H]- 232.95987 138.3
[M]+ 211.98465 134.7
[M]- 211.98575 134.7
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

patents stripe