CID 55254715

(2,4,5-trifluoro-3-methoxyphenyl)methanol

Structural Information

Molecular Formula
C8H7F3O2
SMILES
COC1=C(C(=CC(=C1F)F)CO)F
InChI
InChI=1S/C8H7F3O2/c1-13-8-6(10)4(3-12)2-5(9)7(8)11/h2,12H,3H2,1H3
InChIKey
GQHZHNFJOJOLIT-UHFFFAOYSA-N
Compound name
(2,4,5-trifluoro-3-methoxyphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

192.03981 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.04709 132.0
[M+Na]+ 215.02903 143.2
[M-H]- 191.03253 131.6
[M+NH4]+ 210.07363 151.8
[M+K]+ 231.00297 140.5
[M+H-H2O]+ 175.03707 124.6
[M+HCOO]- 237.03801 152.6
[M+CH3COO]- 251.05366 182.6
[M+Na-2H]- 213.01448 135.8
[M]+ 192.03926 130.6
[M]- 192.04036 130.6
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