CID 2775301

(4-methoxy-3-(trifluoromethyl)phenyl)methanol

Structural Information

Molecular Formula
C9H9F3O2
SMILES
COC1=C(C=C(C=C1)CO)C(F)(F)F
InChI
InChI=1S/C9H9F3O2/c1-14-8-3-2-6(5-13)4-7(8)9(10,11)12/h2-4,13H,5H2,1H3
InChIKey
BZZVIAHLDIRLCX-UHFFFAOYSA-N
Compound name
[4-methoxy-3-(trifluoromethyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

206.05547 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06275 138.4
[M+Na]+ 229.04469 147.8
[M-H]- 205.04819 137.4
[M+NH4]+ 224.08929 157.2
[M+K]+ 245.01863 145.2
[M+H-H2O]+ 189.05273 130.9
[M+HCOO]- 251.05367 157.1
[M+CH3COO]- 265.06932 183.0
[M+Na-2H]- 227.03014 143.6
[M]+ 206.05492 135.9
[M]- 206.05602 135.9
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