CID 2778870

Tetrafluorobenzene-1,2-diol

Structural Information

Molecular Formula
C6H2F4O2
SMILES
C1(=C(C(=C(C(=C1F)F)F)F)O)O
InChI
InChI=1S/C6H2F4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9/h11-12H
InChIKey
AQSZAISVBFUJQG-UHFFFAOYSA-N
Compound name
3,4,5,6-tetrafluorobenzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

238
Patents

181.99908 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.00636 125.5
[M+Na]+ 204.98830 138.1
[M-H]- 180.99180 123.1
[M+NH4]+ 200.03290 145.1
[M+K]+ 220.96224 134.5
[M+H-H2O]+ 164.99634 118.0
[M+HCOO]- 226.99728 144.1
[M+CH3COO]- 241.01293 178.2
[M+Na-2H]- 202.97375 128.5
[M]+ 181.99853 120.6
[M]- 181.99963 120.6
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