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]+ 206.07872 140.0
[M+Na]+ 228.06066 148.4
[M-H]- 204.06416 138.5
[M+NH4]+ 223.10526 158.2
[M+K]+ 244.03460 145.3
[M+H-H2O]+ 188.06870 132.4
[M+HCOO]- 250.06964 157.9
[M+CH3COO]- 264.08529 186.1
[M+Na-2H]- 226.04611 143.1
[M]+ 205.07089 133.6
[M]- 205.07199 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