CID 20229105

2,3-dichloro-4-(trifluoromethyl)phenol

Structural Information

Molecular Formula
C7H3Cl2F3O
SMILES
C1=CC(=C(C(=C1C(F)(F)F)Cl)Cl)O
InChI
InChI=1S/C7H3Cl2F3O/c8-5-3(7(10,11)12)1-2-4(13)6(5)9/h1-2,13H
InChIKey
INENZQCIDORHDO-UHFFFAOYSA-N
Compound name
2,3-dichloro-4-(trifluoromethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

229.95131 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.95859 134.4
[M+Na]+ 252.94053 146.7
[M-H]- 228.94403 133.3
[M+NH4]+ 247.98513 153.8
[M+K]+ 268.91447 140.7
[M+H-H2O]+ 212.94857 129.3
[M+HCOO]- 274.94951 144.1
[M+CH3COO]- 288.96516 184.7
[M+Na-2H]- 250.92598 139.1
[M]+ 229.95076 133.4
[M]- 229.95186 133.4
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