CID 14011737

2-amino-5-(trifluoromethoxy)phenol

Structural Information

Molecular Formula
C7H6F3NO2
SMILES
C1=CC(=C(C=C1OC(F)(F)F)O)N
InChI
InChI=1S/C7H6F3NO2/c8-7(9,10)13-4-1-2-5(11)6(12)3-4/h1-3,12H,11H2
InChIKey
XYAPVSVTNAIPQE-UHFFFAOYSA-N
Compound name
2-amino-5-(trifluoromethoxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
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

literature stripe

Patent stripe

patents stripe