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

2
Patents

168.03981 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04709 126.3
[M+Na]+ 191.02903 135.9
[M-H]- 167.03253 127.3
[M+NH4]+ 186.07363 141.9
[M+K]+ 207.00297 134.1
[M+H-H2O]+ 151.03707 118.4
[M+HCOO]- 213.03801 145.6
[M+CH3COO]- 227.05366 180.2
[M+Na-2H]- 189.01448 131.9
[M]+ 168.03926 126.1
[M]- 168.04036 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