CID 11171505

(3-amino-4-(trifluoromethyl)phenyl)methanol

Structural Information

Molecular Formula
C8H8F3NO
SMILES
C1=CC(=C(C=C1CO)N)C(F)(F)F
InChI
InChI=1S/C8H8F3NO/c9-8(10,11)6-2-1-5(4-13)3-7(6)12/h1-3,13H,4,12H2
InChIKey
WZYFMGJEZGENAN-UHFFFAOYSA-N
Compound name
[3-amino-4-(trifluoromethyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

191.0558 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.063076 135.3
[M+Na]+ 214.045018 144.4
[M-H]- 190.048524 133.9
[M+NH4]+ 209.089623 154.1
[M+K]+ 230.018958 141.0
[M+H-H2O]+ 174.053060 127.8
[M+HCOO]- 236.054001 154.5
[M+CH3COO]- 250.069651 182.1
[M+Na-2H]- 212.030466 140.2
[M]+ 191.05525142 129.2
[M]- 191.05634858 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