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

41
Patents

213.98085 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.988126 132.1
[M+Na]+ 236.970068 144.2
[M-H]- 212.973574 130.3
[M+NH4]+ 232.014673 151.7
[M+K]+ 252.944008 139.2
[M+H-H2O]+ 196.978110 125.4
[M+HCOO]- 258.979051 145.8
[M+CH3COO]- 272.994701 182.8
[M+Na-2H]- 234.955516 136.9
[M]+ 213.98030142 128.7
[M]- 213.98139858 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