CID 18625682

261952-21-0

Structural Information

Molecular Formula
C8H4F4O2
SMILES
C1=C(C(=C(C(=C1F)F)F)F)CC(=O)O
InChI
InChI=1S/C8H4F4O2/c9-4-1-3(2-5(13)14)6(10)8(12)7(4)11/h1H,2H2,(H,13,14)
InChIKey
YCVZGEGNCVLVBM-UHFFFAOYSA-N
Compound name
2-(2,3,4,5-tetrafluorophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

208.01474 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.022016 133.3
[M+Na]+ 231.003958 144.6
[M-H]- 207.007464 131.6
[M+NH4]+ 226.048563 152.2
[M+K]+ 246.977898 141.3
[M+H-H2O]+ 191.012000 125.1
[M+HCOO]- 253.012941 152.0
[M+CH3COO]- 267.028591 185.5
[M+Na-2H]- 228.989406 135.3
[M]+ 208.01419142 129.3
[M]- 208.01528858 129.3
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