CID 263633

Cyclopropylmethyl 2,2,2-trifluoroacetate

Structural Information

Molecular Formula
C6H7F3O2
SMILES
C1CC1COC(=O)C(F)(F)F
InChI
InChI=1S/C6H7F3O2/c7-6(8,9)5(10)11-3-4-1-2-4/h4H,1-3H2
InChIKey
RLIMBTWAKZSVBW-UHFFFAOYSA-N
Compound name
cyclopropylmethyl 2,2,2-trifluoroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

168.03981 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.047086 126.3
[M+Na]+ 191.029028 135.9
[M-H]- 167.032534 127.3
[M+NH4]+ 186.073633 141.9
[M+K]+ 207.002968 134.1
[M+H-H2O]+ 151.037070 118.4
[M+HCOO]- 213.038011 145.6
[M+CH3COO]- 227.053661 180.2
[M+Na-2H]- 189.014476 131.9
[M]+ 168.03926142 126.1
[M]- 168.04035858 126.1
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