CID 11435469

4-amino-3-(trifluoromethoxy)phenol

Structural Information

Molecular Formula
C7H6F3NO2
SMILES
C1=CC(=C(C=C1O)OC(F)(F)F)N
InChI
InChI=1S/C7H6F3NO2/c8-7(9,10)13-6-3-4(12)1-2-5(6)11/h1-3,12H,11H2
InChIKey
AQLKYQSRRVETTR-UHFFFAOYSA-N
Compound name
4-amino-3-(trifluoromethoxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

193.03506 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04234 133.6
[M+Na]+ 216.02428 143.0
[M-H]- 192.02778 132.3
[M+NH4]+ 211.06888 152.3
[M+K]+ 231.99822 140.4
[M+H-H2O]+ 176.03232 126.1
[M+HCOO]- 238.03326 153.4
[M+CH3COO]- 252.04891 181.2
[M+Na-2H]- 214.00973 139.1
[M]+ 193.03451 128.6
[M]- 193.03561 128.6
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