CID 53414333

2460755-66-0

Structural Information

Molecular Formula
C8H8F3NO
SMILES
C1=C(C=C(C=C1C(F)(F)F)N)CO
InChI
InChI=1S/C8H8F3NO/c9-8(10,11)6-1-5(4-13)2-7(12)3-6/h1-3,13H,4,12H2
InChIKey
UONWUJGPXCGHNL-UHFFFAOYSA-N
Compound name
[3-amino-5-(trifluoromethyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

191.0558 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.06308 135.3
[M+Na]+ 214.04502 144.4
[M-H]- 190.04852 133.9
[M+NH4]+ 209.08962 154.1
[M+K]+ 230.01896 141.0
[M+H-H2O]+ 174.05306 127.8
[M+HCOO]- 236.05400 154.5
[M+CH3COO]- 250.06965 182.1
[M+Na-2H]- 212.03047 140.2
[M]+ 191.05525 129.2
[M]- 191.05635 129.2
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