CID 2760803

134151-66-9

Structural Information

Molecular Formula
C9H5F3O3
SMILES
C1=CC(=CC=C1C(=O)O)OC(=C(F)F)F
InChI
InChI=1S/C9H5F3O3/c10-7(11)8(12)15-6-3-1-5(2-4-6)9(13)14/h1-4H,(H,13,14)
InChIKey
RSARXEGXWPNARA-UHFFFAOYSA-N
Compound name
4-(1,2,2-trifluoroethenoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

218.01907 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.02635 139.2
[M+Na]+ 241.00829 147.0
[M-H]- 217.01179 137.7
[M+NH4]+ 236.05289 156.6
[M+K]+ 256.98223 144.7
[M+H-H2O]+ 201.01633 131.0
[M+HCOO]- 263.01727 157.1
[M+CH3COO]- 277.03292 184.4
[M+Na-2H]- 238.99374 140.8
[M]+ 218.01852 135.0
[M]- 218.01962 135.0
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