CID 14011736

2-amino-5-chloro-4-(trifluoromethyl)phenol

Structural Information

Molecular Formula
C7H5ClF3NO
SMILES
C1=C(C(=CC(=C1N)O)Cl)C(F)(F)F
InChI
InChI=1S/C7H5ClF3NO/c8-4-2-6(13)5(12)1-3(4)7(9,10)11/h1-2,13H,12H2
InChIKey
NFVHOFKLUSDFAD-UHFFFAOYSA-N
Compound name
2-amino-5-chloro-4-(trifluoromethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

211.00117 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.008446 135.6
[M+Na]+ 233.990388 146.7
[M-H]- 209.993894 134.5
[M+NH4]+ 229.034993 154.7
[M+K]+ 249.964328 141.7
[M+H-H2O]+ 193.998430 129.4
[M+HCOO]- 255.999371 150.6
[M+CH3COO]- 270.015021 184.2
[M+Na-2H]- 231.975836 139.9
[M]+ 211.00062142 131.6
[M]- 211.00171858 131.6
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