CID 98835

652-34-6

Structural Information

Molecular Formula
C7H2F4O3
SMILES
C1(=C(C(=C(C(=C1F)F)O)F)F)C(=O)O
InChI
InChI=1S/C7H2F4O3/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h12H,(H,13,14)
InChIKey
FTLHGQOBAPTEHE-UHFFFAOYSA-N
Compound name
2,3,5,6-tetrafluoro-4-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

339
Patents

209.994 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.00128 131.7
[M+Na]+ 232.98322 143.7
[M-H]- 208.98672 129.1
[M+NH4]+ 228.02782 149.9
[M+K]+ 248.95716 140.4
[M+H-H2O]+ 192.99126 123.9
[M+HCOO]- 254.99220 149.4
[M+CH3COO]- 269.00785 183.5
[M+Na-2H]- 230.96867 133.0
[M]+ 209.99345 127.2
[M]- 209.99455 127.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe