CID 9795862

651331-92-9

Structural Information

Molecular Formula
C10H7F5O4
SMILES
C1=CC(=C(C=C1OCC(C(F)(F)F)(F)F)O)C(=O)O
InChI
InChI=1S/C10H7F5O4/c11-9(12,10(13,14)15)4-19-5-1-2-6(8(17)18)7(16)3-5/h1-3,16H,4H2,(H,17,18)
InChIKey
BLEWPNAUDGZWPU-UHFFFAOYSA-N
Compound name
2-hydroxy-4-(2,2,3,3,3-pentafluoropropoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

42
Patents

286.02646 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.03374 153.0
[M+Na]+ 309.01568 161.8
[M-H]- 285.01918 148.0
[M+NH4]+ 304.06028 167.2
[M+K]+ 324.98962 158.8
[M+H-H2O]+ 269.02372 143.9
[M+HCOO]- 331.02466 165.7
[M+CH3COO]- 345.04031 193.9
[M+Na-2H]- 307.00113 156.0
[M]+ 286.02591 147.3
[M]- 286.02701 147.3
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