CID 28575735

1021003-12-2

Structural Information

Molecular Formula
C9H10F3NO
SMILES
C1=CC(=CC=C1C(F)(F)F)NCCO
InChI
InChI=1S/C9H10F3NO/c10-9(11,12)7-1-3-8(4-2-7)13-5-6-14/h1-4,13-14H,5-6H2
InChIKey
GYUHDZLHKQMXPN-UHFFFAOYSA-N
Compound name
2-[4-(trifluoromethyl)anilino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

205.07144 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.078716 139.6
[M+Na]+ 228.060658 147.3
[M-H]- 204.064164 138.1
[M+NH4]+ 223.105263 157.8
[M+K]+ 244.034598 143.9
[M+H-H2O]+ 188.068700 131.6
[M+HCOO]- 250.069641 159.1
[M+CH3COO]- 264.085291 184.6
[M+Na-2H]- 226.046106 145.7
[M]+ 205.07089142 134.5
[M]- 205.07198858 134.5
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