CID 74765524

1526-29-0

Structural Information

Molecular Formula
C6H6ClF3O2
SMILES
COC(=O)C1CC(C1(F)Cl)(F)F
InChI
InChI=1S/C6H6ClF3O2/c1-12-4(11)3-2-5(8,9)6(3,7)10/h3H,2H2,1H3
InChIKey
ADSVSRFDBOZFRN-UHFFFAOYSA-N
Compound name
methyl 2-chloro-2,3,3-trifluorocyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.00084 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.00812 129.0
[M+Na]+ 224.99006 139.3
[M-H]- 200.99356 129.9
[M+NH4]+ 220.03466 146.9
[M+K]+ 240.96400 139.3
[M+H-H2O]+ 184.99810 121.1
[M+HCOO]- 246.99904 143.6
[M+CH3COO]- 261.01469 185.4
[M+Na-2H]- 222.97551 134.0
[M]+ 202.00029 137.2
[M]- 202.00139 137.2
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.