CID 3790875

2-fluoro-5-(trifluoromethoxy)phenol

Structural Information

Molecular Formula
C7H4F4O2
SMILES
C1=CC(=C(C=C1OC(F)(F)F)O)F
InChI
InChI=1S/C7H4F4O2/c8-5-2-1-4(3-6(5)12)13-7(9,10)11/h1-3,12H
InChIKey
MKRRYWGEQVWJCA-UHFFFAOYSA-N
Compound name
2-fluoro-5-(trifluoromethoxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

196.01474 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.02202 131.7
[M+Na]+ 219.00396 142.0
[M-H]- 195.00746 129.6
[M+NH4]+ 214.04856 150.7
[M+K]+ 234.97790 139.4
[M+H-H2O]+ 179.01200 123.6
[M+HCOO]- 241.01294 150.0
[M+CH3COO]- 255.02859 179.8
[M+Na-2H]- 216.98941 137.4
[M]+ 196.01419 127.2
[M]- 196.01529 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

No literature data available for this compound.

Patent stripe

patents stripe