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

73
Patents

211.00117 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.00845 135.6
[M+Na]+ 233.99039 146.7
[M-H]- 209.99389 134.5
[M+NH4]+ 229.03499 154.7
[M+K]+ 249.96433 141.7
[M+H-H2O]+ 193.99843 129.4
[M+HCOO]- 255.99937 150.6
[M+CH3COO]- 270.01502 184.2
[M+Na-2H]- 231.97584 139.9
[M]+ 211.00062 131.6
[M]- 211.00172 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