CID 17750680

886500-21-6

Structural Information

Molecular Formula
C8H6ClF3O
SMILES
C1=CC(=C(C(=C1)Cl)CO)C(F)(F)F
InChI
InChI=1S/C8H6ClF3O/c9-7-3-1-2-6(5(7)4-13)8(10,11)12/h1-3,13H,4H2
InChIKey
AIXZCUCSYPVDQR-UHFFFAOYSA-N
Compound name
[2-chloro-6-(trifluoromethyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

210.00592 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.01320 135.0
[M+Na]+ 232.99514 145.8
[M-H]- 208.99864 134.1
[M+NH4]+ 228.03974 154.6
[M+K]+ 248.96908 140.8
[M+H-H2O]+ 193.00318 128.8
[M+HCOO]- 255.00412 149.4
[M+CH3COO]- 269.01977 181.8
[M+Na-2H]- 230.98059 140.5
[M]+ 210.00537 132.9
[M]- 210.00647 132.9
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