CID 2773771

3-chloro-2-fluoro-5-(trifluoromethyl)phenol

Structural Information

Molecular Formula
C7H3ClF4O
SMILES
C1=C(C=C(C(=C1O)F)Cl)C(F)(F)F
InChI
InChI=1S/C7H3ClF4O/c8-4-1-3(7(10,11)12)2-5(13)6(4)9/h1-2,13H
InChIKey
OKLHLYVTNGBKCI-UHFFFAOYSA-N
Compound name
3-chloro-2-fluoro-5-(trifluoromethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

213.98085 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.98813 132.1
[M+Na]+ 236.97007 144.2
[M-H]- 212.97357 130.3
[M+NH4]+ 232.01467 151.7
[M+K]+ 252.94401 139.2
[M+H-H2O]+ 196.97811 125.4
[M+HCOO]- 258.97905 145.8
[M+CH3COO]- 272.99470 182.8
[M+Na-2H]- 234.95552 136.9
[M]+ 213.98030 128.7
[M]- 213.98140 128.7
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