CID 206072

42818-60-0

Structural Information

Molecular Formula
C9H10F3NO
SMILES
CC(C1=CC(=CC(=C1)N)C(F)(F)F)O
InChI
InChI=1S/C9H10F3NO/c1-5(14)6-2-7(9(10,11)12)4-8(13)3-6/h2-5,14H,13H2,1H3
InChIKey
ATRKQTIVYKNDOH-UHFFFAOYSA-N
Compound name
1-[3-amino-5-(trifluoromethyl)phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.07144 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.078716 140.0
[M+Na]+ 228.060658 148.4
[M-H]- 204.064164 138.5
[M+NH4]+ 223.105263 158.2
[M+K]+ 244.034598 145.3
[M+H-H2O]+ 188.068700 132.4
[M+HCOO]- 250.069641 157.9
[M+CH3COO]- 264.085291 186.1
[M+Na-2H]- 226.046106 143.1
[M]+ 205.07089142 133.6
[M]- 205.07198858 133.6
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