CID 46737653

3-chloro-5-(trifluoromethoxy)phenol

Structural Information

Molecular Formula
C7H4ClF3O2
SMILES
C1=C(C=C(C=C1OC(F)(F)F)Cl)O
InChI
InChI=1S/C7H4ClF3O2/c8-4-1-5(12)3-6(2-4)13-7(9,10)11/h1-3,12H
InChIKey
GDQVMGRMDBOXLX-UHFFFAOYSA-N
Compound name
3-chloro-5-(trifluoromethoxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

211.9852 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.99248 133.2
[M+Na]+ 234.97442 144.3
[M-H]- 210.97792 132.5
[M+NH4]+ 230.01902 152.7
[M+K]+ 250.94836 140.2
[M+H-H2O]+ 194.98246 127.0
[M+HCOO]- 256.98340 148.2
[M+CH3COO]- 270.99905 180.8
[M+Na-2H]- 232.95987 139.3
[M]+ 211.98465 132.1
[M]- 211.98575 132.1
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